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

Systemtic Name: ethyl 7-[2-[3,3-dimethyl-4-(4-methylphenyl)-2-oxidanyl-butyl]sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-[2-hydroxy-3,3-dimethyl-4-(p-tolyl)butyl]sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[[2-hydroxy-3,3-dimethyl-4-(4-methylphenyl)butyl]thio]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-[2-hydroxy-3,3-dimethyl-4-(4-methylphenyl)butyl]sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[[2-hydroxy-3,3-dimethyl-4-(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)CC2=CC=C(C=C2)C)O

Isomeric SMILES

CCOC(=O)CCCCCCC1C(CCC1=O)SCC(C(C)(C)CC2=CC=C(C=C2)C)O

InChI

InChI=1S/C27H42O4S/c1-5-31-26(30)11-9-7-6-8-10-22-23(28)16-17-24(22)32-19-25(29)27(3,4)18-21-14-12-20(2)13-15-21/h12-15,22,24-25,29H,5-11,16-19H2,1-4H3