ethyl 8-[2-(3,3-dimethyl-2-oxidanyl-heptyl)sulfanyl-5-oxidanylidene-cyclopentyl]octanoate

Systemtic Name: ethyl 8-[2-(3,3-dimethyl-2-oxidanyl-heptyl)sulfanyl-5-oxidanylidene-cyclopentyl]octanoate Openeye Name: ethyl 8-[2-(2-hydroxy-3,3-dimethyl-heptyl)sulfanyl-5-oxo-cyclopentyl]octanoate CAS Name: 8-[2-[(2-hydroxy-3,3-dimethylheptyl)thio]-5-oxocyclopentyl]octanoic acid ethyl ester IUPAC Name: ethyl 8-[2-(2-hydroxy-3,3-dimethylheptyl)sulfanyl-5-oxocyclopentyl]octanoate Traditional Name: 8-[2-[(2-hydroxy-3,3-dimethyl-heptyl)thio]-5-keto-cyclopentyl]caprylic acid ethyl ester Formula: C24H44O4S MolecularWeight: 428.66876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(CSC1CCC(=O)C1CCCCCCCC(=O)OCC)O

Isomeric SMILES

CCCCC(C)(C)C(CSC1CCC(=O)C1CCCCCCCC(=O)OCC)O

InChI

InChI=1S/C24H44O4S/c1-5-7-17-24(3,4)22(26)18-29-21-16-15-20(25)19(21)13-11-9-8-10-12-14-23(27)28-6-2/h19,21-22,26H,5-18H2,1-4H3