Chemical Structure Search

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return false; }" /><button><img src="/rsc.org/core/images/icons/search-light.png" id="ctl00_ctl00_search_btn" width="24" height="24" class="btn-icon" onClick="javascript: __doPostBack('ctl00$ctl00$qs_query','')" /></button> </label> </span> <hr class="clear"/> </div> </header> <nav class="bar-wrapper"> <div class="viewport"> <ul class="bar list"> <li><a href="/Search.aspx" title="Search on Synonym, InChIKey, InChIKey (skeleton), SMILES, InChI, Registry. Input e.g. benzene, c1ccccc1, InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H, 236 (same as /SimpleSearch.aspx).">Simple</a></li> <li><a href="/StructureSearch.aspx" title="Search for a compound or compounds including a specified substructure. Options for exact match, tautomers, skeleton or isomers. Input: Convert from Name, SMILES or InChI; Load from MOL, SDF, CDX, SKC, GIF, JPG, PNG, TIFF; Draw in ACD/Labs SDA or Symyx Jdraw.">Structure</a></li> <li><a href="/FullSearch.aspx" title="Combined search by Structure, Identifier, Elements, Properties, Calculated Properties, Data Source and/or LASSO similarity. Input e.g. bromine must be present and carbon must not be present, molecular weight <=100.">Advanced</a></li> <li><a href="/History.aspx" title="Shows all searches (with links to their results) performed within the last day.">History</a></li> </ul> <hr class="clear"/> </div> </nav> <hr class="clear" /> <div class="main-content viewport" id="pnlMainContent"> <div class="content-wrapper"> <script type="text/javascript"> //<![CDATA[ Sys.WebForms.PageRequestManager._initialize('ctl00$ctl00$ScriptManSection$ScriptManager1', 'aspnetForm', ['tctl00$ctl00$ContentSection$ContentPlaceHolder1$UpdatePanelSearchControl','','tctl00$ctl00$ContentSection$ContentPlaceHolder1$UpdatePanelResults','','fctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$editStructure$pnlLoadMoleculeTabMenu','','tctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$editStructure$updatepanel_draw_structure_ctl','','fctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$editStructure$draw_structure_ctl$updatepanel_structure_editors','','fctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$editStructure$updatepanel_convert_structure_ctl','','tctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$editStructure$updatepanel_load_structure_ctl','','tctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$UpdatePanel1',''], [], [], 90, 'ctl00$ctl00'); //]]> </script> <script type="text/javascript" language="javascript" src="/js/jquery.1.4.2/js/jquery.blockUI.js"></script> <script type="text/javascript" language="javascript" src="/js/jquery.scrollTo-min.js"></script> <script type="text/javascript"> function gg() { $.post('/controls/search/SearchResultHandler.ashx', { gg: 1 }, function (data, textStatus) { $('#aspnetForm').attr('action', '/Search.aspx?rid=' + $('g', data).attr('value')); }); } function OnSearchResultsReady() { $("#ctl00_ctl00_ContentSection_ContentPlaceHolder1_HiddenShowSearchResultsButton").click(); if ($.blockUI) { $.unblockUI(); } $('#result').show(); } function blockUI(showCancel) { var m = '<img src="/images/progress.gif" alt="progress" /> Searching...'; if (showCancel) m += '<br/><button onclick="javascript:$.unblockUI();">Cancel</button>'; $.blockUI({ message: m, css: { border: 'none', 'font-weight': 'bold', padding: '15px', backgroundColor: '#000', '-webkit-border-radius': '10px', '-moz-border-radius': '10px', opacity: .5, color: '#fff' } }); } $(document).ready(function () { if (window.location.href.match(/search_header=0/)) { $('#search_header').addClass('closed'); $('#search_header').removeClass('opened'); } gg(); }); </script> <div> <div style="display: inline"> <h1 class="h2"> <span id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_lblPageHeading">Structure search</span> </h1> </div> <br /> <div> <div id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_UpdatePanelSearchControl"> <script type="text/javascript"> function OnSearchButtonClick() { try { setMolContent(getMolString()); } catch (e) { } $('#result').hide(); setTimeout('blockUI()', 20); } </script> <div id="search-form" class=""> <div id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_placeholder"> <script language="javascript"> $(document).ready(function () { $("#conditionsOfUseDialog").dialog({ autoOpen: false, buttons: { "Close": function () { $("#conditionsOfUseDialog").dialog("close"); } }, modal: true, overlay: { opacity: 0.5, background: "black" }, resizable: true, height: 500, width: 750 }); }); </script> <div id="conditionsOfUseDialog" class="flora" title="Conditions of Use..." style="display: none;"> <iframe width="700" height="400" src="/GGA_Conditions_of_Use.htm"></iframe> </div> <div> <div id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_control_container" class="tab-container"> <div> <div id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_pnlLoadMoleculeTabMenu"> <ul id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_menu_tabs" class="tab-list"> <li><a onclick="return toggleTab(this.id, 'ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_draw_structure_ctl_control_container', 'ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_menu_tabs', 'edit_structure_content', false);" id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_draw_structure" class="selected" href="javascript:__doPostBack('ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$editStructure$draw_structure','')"><span class="hide-below-desktop">Draw structure</span><span class="hide-above-tablet">Draw</span></a></li> <li><a onclick="return toggleTab(this.id, 'ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_convert_structure_ctl_control_container', 'ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_menu_tabs', 'edit_structure_content', false);" id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_convert_structure" href="javascript:__doPostBack('ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$editStructure$convert_structure','')"><span class="hide-below-desktop">Convert structure</span><span class="hide-above-tablet">Convert</span></a></li> <li><a onclick="return toggleTab(this.id, 'ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_load_structure_ctl_control_container', 'ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_menu_tabs', 'edit_structure_content', false);" id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_load_structure" href="javascript:__doPostBack('ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$editStructure$load_structure','')"><span class="hide-below-desktop">Load structure</span><span class="hide-above-tablet">Load</span></a></li> </ul> </div> <div id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_UpdateProgress1" style="display:none;"> <div class="spinner-mask"> <img height="24" width="24" alt="" src="/responsive/images/icons/spinner.gif"> </div> </div> <div id="edit_structure_content" class="search-field-block"> <div id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_updatepanel_draw_structure_ctl"> <div id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_draw_structure_ctl_control_container" class="tab-container"> <script type="text/javascript" src="../../js/AJAXClean-min.js"></script> <button class="fl-r hide-below-tablet" onclick="cleanMol(); return false;">Clean</button> <div class="column"> <span class="help">Use our editor to draw your structure</span> </div> <hr class="clear"> <br> <div class="hide-above-mobile"> <hr> <br> We have detected that you are are on a small device such as a <strong>mobile phone</strong>.<br> <br> We recommend you <strong>use a larger device</strong> to draw your structure.<br> <br> <strong>Still want to try?</strong> Try rotating the device so that it is in a landscape position.<br> <br> </div> <div class="hide-below-tablet"> <ul id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_draw_structure_ctl_menu_tabs" class="tab-list small"> <li><a onclick="setMolContent(getMolString());return toggleTab(this.id, 'ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_draw_structure_ctl_ketcher_ctl_control_container', 'ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_draw_structure_ctl_menu_tabs', 'structure_editors_content', false);" id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_draw_structure_ctl_ketcher" class="selected" href="javascript:__doPostBack('ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$editStructure$draw_structure_ctl$ketcher','')">Ketcher</a></li> <li><a onclick="setMolContent(getMolString());return toggleTab(this.id, 'ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_draw_structure_ctl_elemental_ctl_control_container', 'ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_draw_structure_ctl_menu_tabs', 'structure_editors_content', false);" id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_draw_structure_ctl_elemental" href="javascript:__doPostBack('ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$editStructure$draw_structure_ctl$elemental','')">Elemental</a></li> </ul> <div id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_draw_structure_ctl_updatepanel_structure_editors"> <div id="structure_editors_content" class="structure-editor-wrapper"> <input type="hidden" name="ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$editStructure$draw_structure_ctl$molContentField" id="molContentField" /> <iframe id='ifKetcher' src='../../ketcher/ketcher.html?refresh=23032014' width='720' height='545'></iframe> </div> </div> </div> </div> </div> <div id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_updatepanel_convert_structure_ctl"> </div> <div id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_editStructure_updatepanel_load_structure_ctl"> </div> </div> </div> </div> <div id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_UpdatePanel1"> <div> <div> <table id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_searchOptions_str_search_type" class="checkboxes" border="0"> <tr> <td><span class="selected"><input id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_searchOptions_str_search_type_0" type="radio" name="ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$searchOptions$str_search_type" value="E" checked="checked" /><label for="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_searchOptions_str_search_type_0">Exact</label></span></td> </tr><tr> <td><span class=""><input id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_searchOptions_str_search_type_1" type="radio" name="ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$searchOptions$str_search_type" value="S" onclick="javascript:setTimeout('__doPostBack(\'ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$searchOptions$str_search_type$1\',\'\')', 0)" /><label for="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_searchOptions_str_search_type_1">Substructure</label></span></td> </tr><tr> <td><span class=""><input id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_searchOptions_str_search_type_2" type="radio" name="ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$searchOptions$str_search_type" value="M" onclick="javascript:setTimeout('__doPostBack(\'ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$searchOptions$str_search_type$2\',\'\')', 0)" /><label for="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_searchOptions_str_search_type_2">Similarity</label></span></td> </tr> </table> </div> <div id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_searchOptions_ess_options_div" class="fieldset"> <fieldset class="search-options"> <legend><span>Search Options</span></legend> <div> <img class="helpControl updatePanel" id="search.structure_exact_search_options" /> </div> <table id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_searchOptions_ess_options" class="formtable notablestyles" border="0"> <tr> <td><input id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_searchOptions_ess_options_0" type="radio" name="ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$searchOptions$ess_options" value="inchi" checked="checked" /><label for="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_searchOptions_ess_options_0">Exact Match</label></td> </tr><tr> <td><input id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_searchOptions_ess_options_1" type="radio" name="ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$searchOptions$ess_options" value="inchi_chsi" /><label for="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_searchOptions_ess_options_1">All Tautomers</label></td> </tr><tr> <td><input id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_searchOptions_ess_options_2" type="radio" name="ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$searchOptions$ess_options" value="inchi_ch" /><label for="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_searchOptions_ess_options_2">Same Skeleton (Including H)</label></td> </tr><tr> <td><input id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_searchOptions_ess_options_3" type="radio" name="ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$searchOptions$ess_options" value="inchi_c" /><label for="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_searchOptions_ess_options_3">Same Skeleton (Excluding H)</label></td> </tr><tr> <td><input id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_searchOptions_ess_options_4" type="radio" name="ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$eSearchMode_Structure$searchOptions$ess_options" value="inchi_mf" /><label for="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_eSearchMode_Structure_searchOptions_ess_options_4">All Isomers</label></td> </tr> </table> </fieldset> </div> </div> </div> </div> </div> <div id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_div_options" class="search-options-section"> <div id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_divButtons" class=""> <button onclick="OnSearchButtonClick(); __doPostBack('ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$btnSubmit','')" id="btnSubmit" type="button" class="search-button"><span>Search</span></button> <button onclick="__doPostBack('ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$btnReset','')" id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_btnReset" type="button" class="search-button">Clear form</button> <div class="search-options-hit-limit"> <span>Search Hits Limit: <select name="ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$SearchResultOptionsControl1$hits_limit" id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_SearchResultOptionsControl1_hits_limit" style="display: inline"> <option selected="selected" value="100">100</option> <option value="1000">1000</option> <option value="10000">10000</option> </select> </span> <input type="hidden" name="ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$SearchResultOptionsControl1$order_by_column" id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_SearchResultOptionsControl1_order_by_column" /> <input type="hidden" name="ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$SearchResultOptionsControl1$vague" id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_SearchResultOptionsControl1_vague" value="0" /> </div> </div> <button id="btnSearchOptions" class="search-options-btn clear"> Filter <img height="20" width="20" class="ver-m" alt="" src="/RSC.ORG/core/images/icons/chevron-down.png" data-ot-ignore> </button> <div id="options" class="search-options"> <div class="search-option-selectors"> <strong>Single/Multi-component</strong><br> <div> <span 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name="ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$SearchOptionsControl1$mc_option" value="M" /><label for="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_SearchOptionsControl1_mc_option_2">Search Multi-Component Structures Only</label></span> </div> </div> <div class="search-option-selectors"> <strong>Isotopically Labeled</strong><br> <div> <span id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_SearchOptionsControl1_isotopic_option"><input id="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_SearchOptionsControl1_isotopic_option_0" type="radio" name="ctl00$ctl00$ContentSection$ContentPlaceHolder1$SearchControl1$SearchOptionsControl1$isotopic_option" value="" checked="checked" /><label for="ctl00_ctl00_ContentSection_ContentPlaceHolder1_SearchControl1_SearchOptionsControl1_isotopic_option_0">Search Any</label><br /><input 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