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

Systemtic Name: (E)-7-[2-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-5-ethanoylsulfanyl-3-oxidanyl-cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[5-acetylsulfanyl-3-hydroxy-2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[5-(acetylthio)-3-hydroxy-2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[5-acetylsulfanyl-3-hydroxy-2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[5-(acetylthio)-3-hydroxy-2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]cyclopentyl]hept-5-enoic acid Formula: C24H40O5S MolecularWeight: 440.6364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C=CC1C(CC(C1CC=CCCCC(=O)O)SC(=O)C)O)O

Isomeric SMILES

CCCCC(C)(C)C(/C=C/C1C(CC(C1C/C=C/CCCC(=O)O)SC(=O)C)O)O

InChI

InChI=1S/C24H40O5S/c1-5-6-15-24(3,4)22(27)14-13-18-19(11-9-7-8-10-12-23(28)29)21(16-20(18)26)30-17(2)25/h7,9,13-14,18-22,26-27H,5-6,8,10-12,15-16H2,1-4H3,(H,28,29)/b9-7+,14-13+