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

Systemtic Name: (E)-7-[2-ethanoylsulfanyl-5-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[2-acetylsulfanyl-5-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[2-(acetylthio)-5-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-acetylsulfanyl-5-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[2-(acetylthio)-5-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid Formula: C22H36O4S MolecularWeight: 396.58384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1CCC(C1CC=CCCCC(=O)O)SC(=O)C)O

Isomeric SMILES

CCCCCC(/C=C/C1CCC(C1C/C=C/CCCC(=O)O)SC(=O)C)O

InChI

InChI=1S/C22H36O4S/c1-3-4-7-10-19(24)15-13-18-14-16-21(27-17(2)23)20(18)11-8-5-6-9-12-22(25)26/h5,8,13,15,18-21,24H,3-4,6-7,9-12,14,16H2,1-2H3,(H,25,26)/b8-5+,15-13+