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

Systemtic Name: ethyl 7-[2-[3-methyl-3-(4-methylphenyl)-2-oxidanyl-butyl]sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-[2-hydroxy-3-methyl-3-(p-tolyl)butyl]sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[[2-hydroxy-3-methyl-3-(4-methylphenyl)butyl]thio]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-[2-hydroxy-3-methyl-3-(4-methylphenyl)butyl]sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[[2-hydroxy-3-methyl-3-(p-tolyl)butyl]thio]-5-keto-cyclopentyl]enanthic acid ethyl ester Formula: C26H40O4S MolecularWeight: 448.6584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40O4S/c1-5-30-25(29)11-9-7-6-8-10-21-22(27)16-17-23(21)31-18-24(28)26(3,4)20-14-12-19(2)13-15-20/h12-15,21,23-24,28H,5-11,16-18H2,1-4H3