(E)-7-[(1R,2R)-3-(2-hydroxyethylsulfanyl)-2-octyl-5-oxidanylidene-cyclopentyl]hept-2-enoic acid

Systemtic Name: (E)-7-[(1R,2R)-3-(2-hydroxyethylsulfanyl)-2-octyl-5-oxidanylidene-cyclopentyl]hept-2-enoic acid Openeye Name: (E)-7-[(1R,2R)-3-(2-hydroxyethylsulfanyl)-2-octyl-5-oxo-cyclopentyl]hept-2-enoic acid CAS Name: (E)-7-[(1R,2R)-3-(2-hydroxyethylthio)-2-octyl-5-oxocyclopentyl]-2-heptenoic acid IUPAC Name: (E)-7-[(1R,2R)-3-(2-hydroxyethylsulfanyl)-2-octyl-5-oxocyclopentyl]hept-2-enoic acid Traditional Name: (E)-7-[(1R,2R)-3-(2-hydroxyethylthio)-5-keto-2-octyl-cyclopentyl]hept-2-enoic acid Formula: C22H38O4S MolecularWeight: 398.59972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(CC(=O)C1CCCCC=CC(=O)O)SCCO

Isomeric SMILES

CCCCCCCC[C@@H]1[C@H](C(=O)CC1SCCO)CCCC/C=C/C(=O)O

InChI

InChI=1S/C22H38O4S/c1-2-3-4-5-6-10-13-19-18(12-9-7-8-11-14-22(25)26)20(24)17-21(19)27-16-15-23/h11,14,18-19,21,23H,2-10,12-13,15-17H2,1H3,(H,25,26)/b14-11+/t18-,19-,21?/m1/s1