4-[7-[2-(4-methyl-3-oxidanyl-octyl)-5-oxidanylidene-cyclopent-3-en-1-yl]heptoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[7-[2-(4-methyl-3-oxidanyl-octyl)-5-oxidanylidene-cyclopent-3-en-1-yl]heptoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[7-[2-(3-hydroxy-4-methyl-octyl)-5-oxo-cyclopent-3-en-1-yl]heptoxy]-4-oxo-butanoic acid CAS Name: 4-[7-[2-(3-hydroxy-4-methyloctyl)-5-oxo-1-cyclopent-3-enyl]heptoxy]-4-oxobutanoic acid IUPAC Name: 4-[7-[2-(3-hydroxy-4-methyloctyl)-5-oxocyclopent-3-en-1-yl]heptoxy]-4-oxobutanoic acid Traditional Name: 4-[7-[2-(3-hydroxy-4-methyl-octyl)-5-keto-cyclopent-3-en-1-yl]heptoxy]-4-keto-butyric acid Formula: C25H42O6 MolecularWeight: 438.59738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(CCC1C=CC(=O)C1CCCCCCCOC(=O)CCC(=O)O)O

Isomeric SMILES

CCCCC(C)C(CCC1C=CC(=O)C1CCCCCCCOC(=O)CCC(=O)O)O

InChI

InChI=1S/C25H42O6/c1-3-4-10-19(2)22(26)14-12-20-13-15-23(27)21(20)11-8-6-5-7-9-18-31-25(30)17-16-24(28)29/h13,15,19-22,26H,3-12,14,16-18H2,1-2H3,(H,28,29)