ethyl 6-[2-(3,3-dimethyl-2-oxidanyl-heptyl)sulfanyl-5-oxidanylidene-cyclopentyl]hexanoate

Systemtic Name: ethyl 6-[2-(3,3-dimethyl-2-oxidanyl-heptyl)sulfanyl-5-oxidanylidene-cyclopentyl]hexanoate Openeye Name: ethyl 6-[2-(2-hydroxy-3,3-dimethyl-heptyl)sulfanyl-5-oxo-cyclopentyl]hexanoate CAS Name: 6-[2-[(2-hydroxy-3,3-dimethylheptyl)thio]-5-oxocyclopentyl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[2-(2-hydroxy-3,3-dimethylheptyl)sulfanyl-5-oxocyclopentyl]hexanoate Traditional Name: 6-[2-[(2-hydroxy-3,3-dimethyl-heptyl)thio]-5-keto-cyclopentyl]hexanoic acid ethyl ester Formula: C22H40O4S MolecularWeight: 400.6156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(CSC1CCC(=O)C1CCCCCC(=O)OCC)O

Isomeric SMILES

CCCCC(C)(C)C(CSC1CCC(=O)C1CCCCCC(=O)OCC)O

InChI

InChI=1S/C22H40O4S/c1-5-7-15-22(3,4)20(24)16-27-19-14-13-18(23)17(19)11-9-8-10-12-21(25)26-6-2/h17,19-20,24H,5-16H2,1-4H3