ethyl 7-[2-[2-methyl-5-(4-methylphenyl)-2-oxidanyl-pentyl]sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate

Systemtic Name: ethyl 7-[2-[2-methyl-5-(4-methylphenyl)-2-oxidanyl-pentyl]sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-[2-hydroxy-2-methyl-5-(p-tolyl)pentyl]sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[[2-hydroxy-2-methyl-5-(4-methylphenyl)pentyl]thio]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-[2-hydroxy-2-methyl-5-(4-methylphenyl)pentyl]sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[[2-hydroxy-2-methyl-5-(p-tolyl)pentyl]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)(CCCC2=CC=C(C=C2)C)O

Isomeric SMILES

CCOC(=O)CCCCCCC1C(CCC1=O)SCC(C)(CCCC2=CC=C(C=C2)C)O

InChI

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