[(1E,3E)-7-[3-oxidanyl-5-oxidanylidene-2-(3-oxidanyloctyl)cyclopentyl]hepta-1,3-dienyl] benzoate

Systemtic Name: [(1E,3E)-7-[3-oxidanyl-5-oxidanylidene-2-(3-oxidanyloctyl)cyclopentyl]hepta-1,3-dienyl] benzoate Openeye Name: [(1E,3E)-7-[3-hydroxy-2-(3-hydroxyoctyl)-5-oxo-cyclopentyl]hepta-1,3-dienyl] benzoate CAS Name: benzoic acid [(1E,3E)-7-[3-hydroxy-2-(3-hydroxyoctyl)-5-oxocyclopentyl]hepta-1,3-dienyl] ester IUPAC Name: [(1E,3E)-7-[3-hydroxy-2-(3-hydroxyoctyl)-5-oxocyclopentyl]hepta-1,3-dienyl] benzoate Traditional Name: benzoic acid [(1E,3E)-7-[3-hydroxy-2-(3-hydroxyoctyl)-5-keto-cyclopentyl]hepta-1,3-dienyl] ester Formula: C27H38O5 MolecularWeight: 442.58762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1C(CC(=O)C1CCCC=CC=COC(=O)C2=CC=CC=C2)O)O

Isomeric SMILES

CCCCCC(CCC1C(CC(=O)C1CCC/C=C/C=C/OC(=O)C2=CC=CC=C2)O)O

InChI

InChI=1S/C27H38O5/c1-2-3-8-15-22(28)17-18-24-23(25(29)20-26(24)30)16-11-5-4-6-12-19-32-27(31)21-13-9-7-10-14-21/h4,6-7,9-10,12-14,19,22-24,26,28,30H,2-3,5,8,11,15-18,20H2,1H3/b6-4+,19-12+