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

Systemtic Name: methyl 7-(4-methylsulfanyl-2-octyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-en-1-yl)-7-oxidanyl-heptanoate Openeye Name: methyl 7-hydroxy-7-(2-hydroxy-4-methylsulfanyl-2-octyl-5-oxo-cyclopent-3-en-1-yl)heptanoate CAS Name: 7-hydroxy-7-[2-hydroxy-4-(methylthio)-2-octyl-5-oxo-1-cyclopent-3-enyl]heptanoic acid methyl ester IUPAC Name: methyl 7-hydroxy-7-(2-hydroxy-4-methylsulfanyl-2-octyl-5-oxocyclopent-3-en-1-yl)heptanoate Traditional Name: 7-hydroxy-7-[2-hydroxy-5-keto-4-(methylthio)-2-octyl-cyclopent-3-en-1-yl]enanthic acid methyl ester Formula: C22H38O5S MolecularWeight: 414.59912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C=C(C(=O)C1C(CCCCCC(=O)OC)O)SC)O

Isomeric SMILES

CCCCCCCCC1(C=C(C(=O)C1C(CCCCCC(=O)OC)O)SC)O

InChI

InChI=1S/C22H38O5S/c1-4-5-6-7-8-12-15-22(26)16-18(28-3)21(25)20(22)17(23)13-10-9-11-14-19(24)27-2/h16-17,20,23,26H,4-15H2,1-3H3