4-(3-bromophenyl)-4-methyl-2-oxidanylidene-pentanoic acid

Systemtic Name: 4-(3-bromophenyl)-4-methyl-2-oxidanylidene-pentanoic acid Openeye Name: 4-(3-bromophenyl)-4-methyl-2-oxo-pentanoic acid CAS Name: 4-(3-bromophenyl)-4-methyl-2-oxopentanoic acid IUPAC Name: 4-(3-bromophenyl)-4-methyl-2-oxopentanoic acid Traditional Name: 4-(3-bromophenyl)-2-keto-4-methyl-valeric acid Formula: C12H13BrO3 MolecularWeight: 285.13382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C(=O)O)C1=CC(=CC=C1)Br

Isomeric SMILES

CC(C)(CC(=O)C(=O)O)C1=CC(=CC=C1)Br

InChI

InChI=1S/C12H13BrO3/c1-12(2,7-10(14)11(15)16)8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H,15,16)