2,3-bis(bromanyl)-3-[4-(2-oxidanylidenepropyl)phenyl]propanoic acid

Systemtic Name: 2,3-bis(bromanyl)-3-[4-(2-oxidanylidenepropyl)phenyl]propanoic acid Openeye Name: 3-(4-acetonylphenyl)-2,3-dibromo-propanoic acid CAS Name: 2,3-dibromo-3-[4-(2-oxopropyl)phenyl]propanoic acid IUPAC Name: 2,3-dibromo-3-[4-(2-oxopropyl)phenyl]propanoic acid Traditional Name: 3-(4-acetonylphenyl)-2,3-dibromo-propionic acid Formula: C12H12Br2O3 MolecularWeight: 364.02988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12Br2O3/c1-7(15)6-8-2-4-9(5-3-8)10(13)11(14)12(16)17/h2-5,10-11H,6H2,1H3,(H,16,17)