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

Systemtic Name: ethyl 5-[2-(3,3-dimethyl-2-oxidanyl-heptyl)sulfanyl-5-oxidanylidene-cyclopentyl]pentanoate Openeye Name: ethyl 5-[2-(2-hydroxy-3,3-dimethyl-heptyl)sulfanyl-5-oxo-cyclopentyl]pentanoate CAS Name: 5-[2-[(2-hydroxy-3,3-dimethylheptyl)thio]-5-oxocyclopentyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-(2-hydroxy-3,3-dimethylheptyl)sulfanyl-5-oxocyclopentyl]pentanoate Traditional Name: 5-[2-[(2-hydroxy-3,3-dimethyl-heptyl)thio]-5-keto-cyclopentyl]valeric acid ethyl ester Formula: C21H38O4S MolecularWeight: 386.58902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(CSC1CCC(=O)C1CCCCC(=O)OCC)O

Isomeric SMILES

CCCCC(C)(C)C(CSC1CCC(=O)C1CCCCC(=O)OCC)O

InChI

InChI=1S/C21H38O4S/c1-5-7-14-21(3,4)19(23)15-26-18-13-12-17(22)16(18)10-8-9-11-20(24)25-6-2/h16,18-19,23H,5-15H2,1-4H3