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

Systemtic Name: 4-[7-[2-(4,4-dimethyl-3-oxidanyl-octyl)-5-oxidanylidene-cyclopent-3-en-1-yl]heptoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[7-[2-(3-hydroxy-4,4-dimethyl-octyl)-5-oxo-cyclopent-3-en-1-yl]heptoxy]-4-oxo-butanoic acid CAS Name: 4-[7-[2-(3-hydroxy-4,4-dimethyloctyl)-5-oxo-1-cyclopent-3-enyl]heptoxy]-4-oxobutanoic acid IUPAC Name: 4-[7-[2-(3-hydroxy-4,4-dimethyloctyl)-5-oxocyclopent-3-en-1-yl]heptoxy]-4-oxobutanoic acid Traditional Name: 4-[7-[2-(3-hydroxy-4,4-dimethyl-octyl)-5-keto-cyclopent-3-en-1-yl]heptoxy]-4-keto-butyric acid Formula: C26H44O6 MolecularWeight: 452.62396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44O6/c1-4-5-18-26(2,3)23(28)15-13-20-12-14-22(27)21(20)11-9-7-6-8-10-19-32-25(31)17-16-24(29)30/h12,14,20-21,23,28H,4-11,13,15-19H2,1-3H3,(H,29,30)