ethyl 9-[2-(3,3-dimethyl-2-oxidanyl-nonyl)sulfanyl-5-oxidanylidene-cyclopentyl]nonanoate

Systemtic Name: ethyl 9-[2-(3,3-dimethyl-2-oxidanyl-nonyl)sulfanyl-5-oxidanylidene-cyclopentyl]nonanoate Openeye Name: ethyl 9-[2-(2-hydroxy-3,3-dimethyl-nonyl)sulfanyl-5-oxo-cyclopentyl]nonanoate CAS Name: 9-[2-[(2-hydroxy-3,3-dimethylnonyl)thio]-5-oxocyclopentyl]nonanoic acid ethyl ester IUPAC Name: ethyl 9-[2-(2-hydroxy-3,3-dimethylnonyl)sulfanyl-5-oxocyclopentyl]nonanoate Traditional Name: 9-[2-[(2-hydroxy-3,3-dimethyl-nonyl)thio]-5-keto-cyclopentyl]pelargonic acid ethyl ester Formula: C27H50O4S MolecularWeight: 470.7485

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C(CSC1CCC(=O)C1CCCCCCCCC(=O)OCC)O

Isomeric SMILES

CCCCCCC(C)(C)C(CSC1CCC(=O)C1CCCCCCCCC(=O)OCC)O

InChI

InChI=1S/C27H50O4S/c1-5-7-8-15-20-27(3,4)25(29)21-32-24-19-18-23(28)22(24)16-13-11-9-10-12-14-17-26(30)31-6-2/h22,24-25,29H,5-21H2,1-4H3