(E)-7-[2-(2-oxidanylheptylsulfanyl)-5-oxidanylidene-cyclopent-3-en-1-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[2-(2-oxidanylheptylsulfanyl)-5-oxidanylidene-cyclopent-3-en-1-yl]hept-5-enoic acid Openeye Name: (E)-7-[2-(2-hydroxyheptylsulfanyl)-5-oxo-cyclopent-3-en-1-yl]hept-5-enoic acid CAS Name: (E)-7-[2-(2-hydroxyheptylthio)-5-oxo-1-cyclopent-3-enyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-(2-hydroxyheptylsulfanyl)-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid Traditional Name: (E)-7-[2-(2-hydroxyheptylthio)-5-keto-cyclopent-3-en-1-yl]hept-5-enoic acid Formula: C19H30O4S MolecularWeight: 354.5041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CSC1C=CC(=O)C1CC=CCCCC(=O)O)O

Isomeric SMILES

CCCCCC(CSC1C=CC(=O)C1C/C=C/CCCC(=O)O)O

InChI

InChI=1S/C19H30O4S/c1-2-3-6-9-15(20)14-24-18-13-12-17(21)16(18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-16,18,20H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4+