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

Systemtic Name: ethyl 7-[2-[4-(4-methylphenyl)-2-oxidanyl-butyl]sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-[2-hydroxy-4-(p-tolyl)butyl]sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[[2-hydroxy-4-(4-methylphenyl)butyl]thio]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-[2-hydroxy-4-(4-methylphenyl)butyl]sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[[2-hydroxy-4-(p-tolyl)butyl]thio]-5-keto-cyclopentyl]enanthic acid ethyl ester Formula: C25H38O4S MolecularWeight: 434.63182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC1C(CCC1=O)SCC(CCC2=CC=C(C=C2)C)O

Isomeric SMILES

CCOC(=O)CCCCCCC1C(CCC1=O)SCC(CCC2=CC=C(C=C2)C)O

InChI

InChI=1S/C25H38O4S/c1-3-29-25(28)9-7-5-4-6-8-22-23(27)16-17-24(22)30-18-21(26)15-14-20-12-10-19(2)11-13-20/h10-13,21-22,24,26H,3-9,14-18H2,1-2H3