ZINC 12

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Format: Overview Compact Basic Summary Targets List Properties Purchasing Info Catalog Info SDF CAS SMILES MOL2 Flexibase ZINC Names Names+Smiles 800lb Gorilla MOL2 (e.g. PyMol) SDF (e.g. Chimera) SMILES (e.g. Marvin) Gorilla (e.g. Instant JChem) Representations: Default All Single Usual Metals Reference Mid High Low Purchasability: Purchasable In Stock or On Demand In Stock Only Make On Demand Boutique Not For Sale Annotated Model Systems Collabocules Everything Boutique (at any price)

• 1529234

Parameters Provided:

name.synonym = 1-Octanecarboxyic acid; 1-Octanecarboxylic acid; AI3-04164; BRN 1752351; C9H18O2; Cirrasol 185A; EINECS 203-931-2; EPA Pesticide Chemical Code 217500; Emfac 1202; FEMA No. 2784; HSDB 5554; Hexacid C-9; LS-2986; NSC 62787; Nonanoic acid; Nonoic acid; Nonyl
filter.purchasability = all
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN synonym AS syn ON (ci.cat_id_fk=syn.cat_fk AND ci.supplier_code=syn.supplier_code) INNER JOIN field AS f ON syn.field_fk=f.field_id  WHERE c.free = 1 AND syn.synonym IS NOT NULL AND syn.synonym LIKE '1-Octanecarboxyic acid; 1-Octanecarboxylic acid; AI3-04164; BRN 1752351; C9H18O2; Cirrasol 185A; EINECS 203-931-2; EPA Pesticide Chemical Code 217500; Emfac 1202; FEMA No. 2784; HSDB 5554; Hexacid C-9; LS-2986; NSC 62787; Nonanoic acid; Nonoic acid; Nonyl' AND f.ftype IN (3,7,11,12,14) AND ci.sub_id_fk IN (SELECT ci.sub_id_fk AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1   )    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?name.synonym=1-Octanecarboxyic+acid%3B+1-Octanecarboxylic+acid%3B+AI3-04164%3B+BRN+1752351%3B+C9H18O2%3B+Cirrasol+185A%3B+EINECS+203-931-2%3B+EPA+Pesticide+Chemical+Code+217500%3B+Emfac+1202%3B+FEMA+No.+2784%3B+HSDB+5554%3B+Hexacid+C-9%3B+LS-2986%3B+NSC+62787%3B+Nonanoic+acid%3B+Nonoic+acid%3B+Nonyl&filter.purchasability=all

Embed Link to Results

<div id="zinc-link"></div> <script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script> <script type="text/javascript"> window.zinc.embed('zinc-link', { "name.synonym": "1-Octanecarboxyic acid; 1-Octanecarboxylic acid; AI3-04164; BRN 1752351; C9H18O2; Cirrasol 185A; EINECS 203-931-2; EPA Pesticide Chemical Code 217500; Emfac 1202; FEMA No. 2784; HSDB 5554; Hexacid C-9; LS-2986; NSC 62787; Nonanoic acid; Nonoic acid; Nonyl" }); </script>