methyl 2-methyl-7-[2-(2-oxidanylheptylsulfanyl)-5-oxidanylidene-cyclopentyl]heptanoate

Systemtic Name: methyl 2-methyl-7-[2-(2-oxidanylheptylsulfanyl)-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: methyl 7-[2-(2-hydroxyheptylsulfanyl)-5-oxo-cyclopentyl]-2-methyl-heptanoate CAS Name: 7-[2-(2-hydroxyheptylthio)-5-oxocyclopentyl]-2-methylheptanoic acid methyl ester IUPAC Name: methyl 7-[2-(2-hydroxyheptylsulfanyl)-5-oxocyclopentyl]-2-methylheptanoate Traditional Name: 7-[2-(2-hydroxyheptylthio)-5-keto-cyclopentyl]-2-methyl-enanthic acid methyl ester Formula: C21H38O4S MolecularWeight: 386.58902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CSC1CCC(=O)C1CCCCCC(C)C(=O)OC)O

Isomeric SMILES

CCCCCC(CSC1CCC(=O)C1CCCCCC(C)C(=O)OC)O

InChI

InChI=1S/C21H38O4S/c1-4-5-7-11-17(22)15-26-20-14-13-19(23)18(20)12-9-6-8-10-16(2)21(24)25-3/h16-18,20,22H,4-15H2,1-3H3