7-[2-[(E)-2-(3,5-dimethylphenyl)ethenyl]-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-[(E)-2-(3,5-dimethylphenyl)ethenyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(E)-2-(3,5-dimethylphenyl)vinyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(E)-2-(3,5-dimethylphenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(E)-2-(3,5-dimethylphenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(E)-2-(3,5-dimethylphenyl)vinyl]-5-keto-cyclopentyl]enanthic acid Formula: C22H30O3 MolecularWeight: 342.4718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30O3/c1-16-13-17(2)15-18(14-16)9-10-19-11-12-21(23)20(19)7-5-3-4-6-8-22(24)25/h9-10,13-15,19-20H,3-8,11-12H2,1-2H3,(H,24,25)/b10-9+