3-(2-methylphenyl)-4-oxidanylidene-cyclohexane-1,2-dicarboxylic acid

Systemtic Name: 3-(2-methylphenyl)-4-oxidanylidene-cyclohexane-1,2-dicarboxylic acid Openeye Name: 3-(o-tolyl)-4-oxo-cyclohexane-1,2-dicarboxylic acid CAS Name: 3-(2-methylphenyl)-4-oxocyclohexane-1,2-dicarboxylic acid IUPAC Name: 3-(2-methylphenyl)-4-oxocyclohexane-1,2-dicarboxylic acid Traditional Name: 4-keto-3-(o-tolyl)cyclohexane-1,2-dicarboxylic acid Formula: C15H16O5 MolecularWeight: 276.28454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(C(CCC2=O)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2C(C(CCC2=O)C(=O)O)C(=O)O

InChI

InChI=1S/C15H16O5/c1-8-4-2-3-5-9(8)12-11(16)7-6-10(14(17)18)13(12)15(19)20/h2-5,10,12-13H,6-7H2,1H3,(H,17,18)(H,19,20)