4-(3,5-dimethylphenyl)-2-methyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3,5-dimethylphenyl)-2-methyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(3,5-dimethylphenyl)-2-methyl-4-oxo-butanoic acid CAS Name: 4-(3,5-dimethylphenyl)-2-methyl-4-oxobutanoic acid IUPAC Name: 4-(3,5-dimethylphenyl)-2-methyl-4-oxobutanoic acid Traditional Name: 4-(3,5-dimethylphenyl)-4-keto-2-methyl-butyric acid Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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