methyl (7E)-7-(4-methylsulfanyl-2-octyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-en-1-ylidene)heptanoate

Systemtic Name: methyl (7E)-7-(4-methylsulfanyl-2-octyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-en-1-ylidene)heptanoate Openeye Name: methyl (7E)-7-(2-hydroxy-4-methylsulfanyl-2-octyl-5-oxo-cyclopent-3-en-1-ylidene)heptanoate CAS Name: (7E)-7-[2-hydroxy-4-(methylthio)-2-octyl-5-oxo-1-cyclopent-3-enylidene]heptanoic acid methyl ester IUPAC Name: methyl (7E)-7-(2-hydroxy-4-methylsulfanyl-2-octyl-5-oxocyclopent-3-en-1-ylidene)heptanoate Traditional Name: (7E)-7-[2-hydroxy-5-keto-4-(methylthio)-2-octyl-cyclopent-3-en-1-ylidene]enanthic acid methyl ester Formula: C22H36O4S MolecularWeight: 396.58384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C=C(C(=O)C1=CCCCCCC(=O)OC)SC)O

Isomeric SMILES

CCCCCCCCC\1(C=C(C(=O)/C1=C/CCCCCC(=O)OC)SC)O

InChI

InChI=1S/C22H36O4S/c1-4-5-6-7-10-13-16-22(25)17-19(27-3)21(24)18(22)14-11-8-9-12-15-20(23)26-2/h14,17,25H,4-13,15-16H2,1-3H3/b18-14-