ethyl 7-[2-[2,3-dimethyl-3-(4-methylphenyl)-2-oxidanyl-butyl]sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate

Systemtic Name: ethyl 7-[2-[2,3-dimethyl-3-(4-methylphenyl)-2-oxidanyl-butyl]sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-[2-hydroxy-2,3-dimethyl-3-(p-tolyl)butyl]sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[[2-hydroxy-2,3-dimethyl-3-(4-methylphenyl)butyl]thio]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-[2-hydroxy-2,3-dimethyl-3-(4-methylphenyl)butyl]sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[[2-hydroxy-2,3-dimethyl-3-(p-tolyl)butyl]thio]-5-keto-cyclopentyl]enanthic acid ethyl ester Formula: C27H42O4S MolecularWeight: 462.68498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC1C(CCC1=O)SCC(C)(C(C)(C)C2=CC=C(C=C2)C)O

Isomeric SMILES

CCOC(=O)CCCCCCC1C(CCC1=O)SCC(C)(C(C)(C)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C27H42O4S/c1-6-31-25(29)12-10-8-7-9-11-22-23(28)17-18-24(22)32-19-27(5,30)26(3,4)21-15-13-20(2)14-16-21/h13-16,22,24,30H,6-12,17-19H2,1-5H3