3-cyano-3-(2,4-dimethylphenyl)pentanedioic acid

Systemtic Name: 3-cyano-3-(2,4-dimethylphenyl)pentanedioic acid Openeye Name: 3-cyano-3-(2,4-dimethylphenyl)pentanedioic acid CAS Name: 3-cyano-3-(2,4-dimethylphenyl)pentanedioic acid IUPAC Name: 3-cyano-3-(2,4-dimethylphenyl)pentanedioic acid Traditional Name: 3-cyano-3-(2,4-dimethylphenyl)glutaric acid Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO4/c1-9-3-4-11(10(2)5-9)14(8-15,6-12(16)17)7-13(18)19/h3-5H,6-7H2,1-2H3,(H,16,17)(H,18,19)