3-cyano-3-(3-methylphenyl)pentanedioic acid

Systemtic Name: 3-cyano-3-(3-methylphenyl)pentanedioic acid Openeye Name: 3-cyano-3-(m-tolyl)pentanedioic acid CAS Name: 3-cyano-3-(3-methylphenyl)pentanedioic acid IUPAC Name: 3-cyano-3-(3-methylphenyl)pentanedioic acid Traditional Name: 3-cyano-3-(m-tolyl)glutaric acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)O)(CC(=O)O)C#N

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)(CC(=O)O)C#N

InChI

InChI=1S/C13H13NO4/c1-9-3-2-4-10(5-9)13(8-14,6-11(15)16)7-12(17)18/h2-5H,6-7H2,1H3,(H,15,16)(H,17,18)