(E)-7-[3-(2-hydroxyethylsulfanyl)-2-octyl-cyclopentyl]hept-2-enoic acid

Systemtic Name: (E)-7-[3-(2-hydroxyethylsulfanyl)-2-octyl-cyclopentyl]hept-2-enoic acid Openeye Name: (E)-7-[3-(2-hydroxyethylsulfanyl)-2-octyl-cyclopentyl]hept-2-enoic acid CAS Name: (E)-7-[3-(2-hydroxyethylthio)-2-octylcyclopentyl]-2-heptenoic acid IUPAC Name: (E)-7-[3-(2-hydroxyethylsulfanyl)-2-octylcyclopentyl]hept-2-enoic acid Traditional Name: (E)-7-[3-(2-hydroxyethylthio)-2-octyl-cyclopentyl]hept-2-enoic acid Formula: C22H40O3S MolecularWeight: 384.6162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(CCC1SCCO)CCCCC=CC(=O)O

Isomeric SMILES

CCCCCCCCC1C(CCC1SCCO)CCCC/C=C/C(=O)O

InChI

InChI=1S/C22H40O3S/c1-2-3-4-5-6-10-13-20-19(15-16-21(20)26-18-17-23)12-9-7-8-11-14-22(24)25/h11,14,19-21,23H,2-10,12-13,15-18H2,1H3,(H,24,25)/b14-11+