ethyl 8-[2-oxidanylidene-5-(3-sulfanylhexyl)cyclopentyl]octanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC1CCC(=O)C1CCCCCCCC(=O)OCC)S

Isomeric SMILES

CCCC(CCC1CCC(=O)C1CCCCCCCC(=O)OCC)S

InChI

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