(E)-7-[5-ethanoylsulfanyl-3-oxidanyl-2-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]hept-4-enoic acid

Systemtic Name: (E)-7-[5-ethanoylsulfanyl-3-oxidanyl-2-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]hept-4-enoic acid Openeye Name: (E)-7-[5-acetylsulfanyl-3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-4-enoic acid CAS Name: (E)-7-[5-(acetylthio)-3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]-4-heptenoic acid IUPAC Name: (E)-7-[5-acetylsulfanyl-3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-4-enoic acid Traditional Name: (E)-7-[5-(acetylthio)-3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-4-enoic acid Formula: C22H36O5S MolecularWeight: 412.58324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(C1CCC=CCCC(=O)O)SC(=O)C)O)O

Isomeric SMILES

CCCCCC(/C=C/C1C(CC(C1CC/C=C/CCC(=O)O)SC(=O)C)O)O

InChI

InChI=1S/C22H36O5S/c1-3-4-7-10-17(24)13-14-18-19(11-8-5-6-9-12-22(26)27)21(15-20(18)25)28-16(2)23/h5-6,13-14,17-21,24-25H,3-4,7-12,15H2,1-2H3,(H,26,27)/b6-5+,14-13+