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

Systemtic Name: ethyl 5-[2-(3,3-dimethyl-2-oxidanyl-nonyl)sulfanyl-5-oxidanylidene-cyclopentyl]pentanoate Openeye Name: ethyl 5-[2-(2-hydroxy-3,3-dimethyl-nonyl)sulfanyl-5-oxo-cyclopentyl]pentanoate CAS Name: 5-[2-[(2-hydroxy-3,3-dimethylnonyl)thio]-5-oxocyclopentyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-(2-hydroxy-3,3-dimethylnonyl)sulfanyl-5-oxocyclopentyl]pentanoate Traditional Name: 5-[2-[(2-hydroxy-3,3-dimethyl-nonyl)thio]-5-keto-cyclopentyl]valeric acid ethyl ester Formula: C23H42O4S MolecularWeight: 414.64218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H42O4S/c1-5-7-8-11-16-23(3,4)21(25)17-28-20-15-14-19(24)18(20)12-9-10-13-22(26)27-6-2/h18,20-21,25H,5-17H2,1-4H3