methyl (E)-7-[5-oxidanylidene-2-(3-oxidanylideneoctyl)-3-sulfanyl-cyclopentyl]hept-5-enoate

Systemtic Name: methyl (E)-7-[5-oxidanylidene-2-(3-oxidanylideneoctyl)-3-sulfanyl-cyclopentyl]hept-5-enoate Openeye Name: methyl (E)-7-[5-oxo-2-(3-oxooctyl)-3-sulfanyl-cyclopentyl]hept-5-enoate CAS Name: (E)-7-[3-mercapto-5-oxo-2-(3-oxooctyl)cyclopentyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[5-oxo-2-(3-oxooctyl)-3-sulfanylcyclopentyl]hept-5-enoate Traditional Name: (E)-7-[5-keto-2-(3-ketooctyl)-3-mercapto-cyclopentyl]hept-5-enoic acid methyl ester Formula: C21H34O4S MolecularWeight: 382.55726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CCC1C(CC(=O)C1CC=CCCCC(=O)OC)S

Isomeric SMILES

CCCCCC(=O)CCC1C(CC(=O)C1C/C=C/CCCC(=O)OC)S

InChI

InChI=1S/C21H34O4S/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)26)11-8-5-6-9-12-21(24)25-2/h5,8,17-18,20,26H,3-4,6-7,9-15H2,1-2H3/b8-5+