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

Systemtic Name: 3-(4-bromophenyl)carbonyl-2-oxidanylidene-pentanoic acid Openeye Name: 3-(4-bromobenzoyl)-2-oxo-pentanoic acid CAS Name: 3-[(4-bromophenyl)-oxomethyl]-2-oxopentanoic acid IUPAC Name: 3-(4-bromobenzoyl)-2-oxopentanoic acid Traditional Name: 3-(4-bromobenzoyl)-2-keto-valeric acid Formula: C12H11BrO4 MolecularWeight: 299.11734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrO4/c1-2-9(11(15)12(16)17)10(14)7-3-5-8(13)6-4-7/h3-6,9H,2H2,1H3,(H,16,17)