methyl 7-[3-methylsulfanyl-2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]-7-oxidanyl-heptanoate

Systemtic Name: methyl 7-[3-methylsulfanyl-2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]-7-oxidanyl-heptanoate Openeye Name: methyl 7-hydroxy-7-[5-[(E)-3-hydroxyoct-1-enyl]-3-methylsulfanyl-2-oxo-cyclopent-3-en-1-yl]heptanoate CAS Name: 7-hydroxy-7-[5-[(E)-3-hydroxyoct-1-enyl]-3-(methylthio)-2-oxo-1-cyclopent-3-enyl]heptanoic acid methyl ester IUPAC Name: methyl 7-hydroxy-7-[5-[(E)-3-hydroxyoct-1-enyl]-3-methylsulfanyl-2-oxocyclopent-3-en-1-yl]heptanoate Traditional Name: 7-hydroxy-7-[5-[(E)-3-hydroxyoct-1-enyl]-2-keto-3-(methylthio)cyclopent-3-en-1-yl]enanthic acid methyl ester Formula: C22H36O5S MolecularWeight: 412.58324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C=C(C(=O)C1C(CCCCCC(=O)OC)O)SC)O

Isomeric SMILES

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

InChI

InChI=1S/C22H36O5S/c1-4-5-7-10-17(23)14-13-16-15-19(28-3)22(26)21(16)18(24)11-8-6-9-12-20(25)27-2/h13-18,21,23-24H,4-12H2,1-3H3/b14-13+