7-[2-[(E)-3-(3-methylphenyl)-3-oxidanylidene-prop-1-enyl]-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-[(E)-3-(3-methylphenyl)-3-oxidanylidene-prop-1-enyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(E)-3-(m-tolyl)-3-oxo-prop-1-enyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(E)-3-(3-methylphenyl)-3-oxoprop-1-enyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(E)-3-(3-methylphenyl)-3-oxoprop-1-enyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-keto-5-[(E)-3-keto-3-(m-tolyl)prop-1-enyl]cyclopentyl]enanthic acid Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28O4/c1-16-7-6-8-18(15-16)20(23)13-11-17-12-14-21(24)19(17)9-4-2-3-5-10-22(25)26/h6-8,11,13,15,17,19H,2-5,9-10,12,14H2,1H3,(H,25,26)/b13-11+