4-(3-chlorophenyl)-2,2-dimethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3-chlorophenyl)-2,2-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-chlorophenyl)-2,2-dimethyl-4-oxo-butanoic acid CAS Name: 4-(3-chlorophenyl)-2,2-dimethyl-4-oxobutanoic acid IUPAC Name: 4-(3-chlorophenyl)-2,2-dimethyl-4-oxobutanoic acid Traditional Name: 4-(3-chlorophenyl)-4-keto-2,2-dimethyl-butyric acid Formula: C12H13ClO3 MolecularWeight: 240.68282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C1=CC(=CC=C1)Cl)C(=O)O

Isomeric SMILES

CC(C)(CC(=O)C1=CC(=CC=C1)Cl)C(=O)O

InChI

InChI=1S/C12H13ClO3/c1-12(2,11(15)16)7-10(14)8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H,15,16)