7-[2-[(E)-2-(2,4-dimethylphenyl)ethenyl]-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-[(E)-2-(2,4-dimethylphenyl)ethenyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(E)-2-(2,4-dimethylphenyl)vinyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(E)-2-(2,4-dimethylphenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(E)-2-(2,4-dimethylphenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(E)-2-(2,4-dimethylphenyl)vinyl]-5-keto-cyclopentyl]enanthic acid Formula: C22H30O3 MolecularWeight: 342.4718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC2CCC(=O)C2CCCCCCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C2CCC(=O)C2CCCCCCC(=O)O)C

InChI

InChI=1S/C22H30O3/c1-16-9-10-18(17(2)15-16)11-12-19-13-14-21(23)20(19)7-5-3-4-6-8-22(24)25/h9-12,15,19-20H,3-8,13-14H2,1-2H3,(H,24,25)/b12-11+