2,2-dimethyl-4-(2-methylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2,2-dimethyl-4-(2-methylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2,2-dimethyl-4-(o-tolyl)-4-oxo-butanoic acid CAS Name: 2,2-dimethyl-4-(2-methylphenyl)-4-oxobutanoic acid IUPAC Name: 2,2-dimethyl-4-(2-methylphenyl)-4-oxobutanoic acid Traditional Name: 4-keto-2,2-dimethyl-4-(o-tolyl)butyric acid Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)CC(C)(C)C(=O)O

InChI

InChI=1S/C13H16O3/c1-9-6-4-5-7-10(9)11(14)8-13(2,3)12(15)16/h4-7H,8H2,1-3H3,(H,15,16)