4-bromanyl-2-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-bromanyl-2-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-bromo-2-[(E)-3-hydroxy-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-bromo-2-[(E)-3-hydroxy-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-bromo-2-[(E)-3-hydroxy-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-bromo-2-[(E)-3-hydroxy-3-keto-prop-1-enyl]benzoic acid Formula: C10H7BrO4 MolecularWeight: 271.06418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)/C=C/C(=O)O)C(=O)O

InChI

InChI=1S/C10H7BrO4/c11-7-2-3-8(10(14)15)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)(H,14,15)/b4-1+