8-[2-oxidanylidene-5-(3-sulfanyloctyl)cyclopentyl]octanoic acid

Systemtic Name: 8-[2-oxidanylidene-5-(3-sulfanyloctyl)cyclopentyl]octanoic acid Openeye Name: 8-[2-oxo-5-(3-sulfanyloctyl)cyclopentyl]octanoic acid CAS Name: 8-[2-(3-mercaptooctyl)-5-oxocyclopentyl]octanoic acid IUPAC Name: 8-[2-oxo-5-(3-sulfanyloctyl)cyclopentyl]octanoic acid Traditional Name: 8-[2-keto-5-(3-mercaptooctyl)cyclopentyl]caprylic acid Formula: C21H38O3S MolecularWeight: 370.58962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1CCC(=O)C1CCCCCCCC(=O)O)S

Isomeric SMILES

CCCCCC(CCC1CCC(=O)C1CCCCCCCC(=O)O)S

InChI

InChI=1S/C21H38O3S/c1-2-3-7-10-18(25)15-13-17-14-16-20(22)19(17)11-8-5-4-6-9-12-21(23)24/h17-19,25H,2-16H2,1H3,(H,23,24)