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

Systemtic Name: ethyl 6-[2-(3,3-dimethyl-2-oxidanyl-nonyl)sulfanyl-5-oxidanylidene-cyclopentyl]hexanoate Openeye Name: ethyl 6-[2-(2-hydroxy-3,3-dimethyl-nonyl)sulfanyl-5-oxo-cyclopentyl]hexanoate CAS Name: 6-[2-[(2-hydroxy-3,3-dimethylnonyl)thio]-5-oxocyclopentyl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[2-(2-hydroxy-3,3-dimethylnonyl)sulfanyl-5-oxocyclopentyl]hexanoate Traditional Name: 6-[2-[(2-hydroxy-3,3-dimethyl-nonyl)thio]-5-keto-cyclopentyl]hexanoic acid ethyl ester Formula: C24H44O4S MolecularWeight: 428.66876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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