methyl (7E)-7-[2-(3,7-dimethyloctyl)-4-methylsulfanyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-en-1-ylidene]heptanoate

Systemtic Name: methyl (7E)-7-[2-(3,7-dimethyloctyl)-4-methylsulfanyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-en-1-ylidene]heptanoate Openeye Name: methyl (7E)-7-[2-(3,7-dimethyloctyl)-2-hydroxy-4-methylsulfanyl-5-oxo-cyclopent-3-en-1-ylidene]heptanoate CAS Name: (7E)-7-[2-(3,7-dimethyloctyl)-2-hydroxy-4-(methylthio)-5-oxo-1-cyclopent-3-enylidene]heptanoic acid methyl ester IUPAC Name: methyl (7E)-7-[2-(3,7-dimethyloctyl)-2-hydroxy-4-methylsulfanyl-5-oxocyclopent-3-en-1-ylidene]heptanoate Traditional Name: (7E)-7-[2-(3,7-dimethyloctyl)-2-hydroxy-5-keto-4-(methylthio)cyclopent-3-en-1-ylidene]enanthic acid methyl ester Formula: C24H40O4S MolecularWeight: 424.637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCC1(C=C(C(=O)C1=CCCCCCC(=O)OC)SC)O

Isomeric SMILES

CC(C)CCCC(C)CCC\1(C=C(C(=O)/C1=C/CCCCCC(=O)OC)SC)O

InChI

InChI=1S/C24H40O4S/c1-18(2)11-10-12-19(3)15-16-24(27)17-21(29-5)23(26)20(24)13-8-6-7-9-14-22(25)28-4/h13,17-19,27H,6-12,14-16H2,1-5H3/b20-13-