(E)-7-[5-oxidanylidene-2-[(E)-3-oxidanyloct-1-enyl]-3-sulfanyl-cyclopentyl]hept-5-enoic acid

Systemtic Name: (E)-7-[5-oxidanylidene-2-[(E)-3-oxidanyloct-1-enyl]-3-sulfanyl-cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-3-sulfanyl-cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-3-mercapto-5-oxocyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-3-sulfanylcyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-5-keto-3-mercapto-cyclopentyl]hept-5-enoic acid Formula: C20H32O4S MolecularWeight: 368.53068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)S)O

Isomeric SMILES

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

InChI

InChI=1S/C20H32O4S/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)25)10-7-4-5-8-11-20(23)24/h4,7,12-13,15-17,19,21,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4+,13-12+