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

Systemtic Name: ethyl 8-[2-(3,3-dimethyl-2-oxidanyl-nonyl)sulfanyl-5-oxidanylidene-cyclopentyl]octanoate Openeye Name: ethyl 8-[2-(2-hydroxy-3,3-dimethyl-nonyl)sulfanyl-5-oxo-cyclopentyl]octanoate CAS Name: 8-[2-[(2-hydroxy-3,3-dimethylnonyl)thio]-5-oxocyclopentyl]octanoic acid ethyl ester IUPAC Name: ethyl 8-[2-(2-hydroxy-3,3-dimethylnonyl)sulfanyl-5-oxocyclopentyl]octanoate Traditional Name: 8-[2-[(2-hydroxy-3,3-dimethyl-nonyl)thio]-5-keto-cyclopentyl]caprylic acid ethyl ester Formula: C26H48O4S MolecularWeight: 456.72192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H48O4S/c1-5-7-8-14-19-26(3,4)24(28)20-31-23-18-17-22(27)21(23)15-12-10-9-11-13-16-25(29)30-6-2/h21,23-24,28H,5-20H2,1-4H3