5-bromanyl-2-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]benzoic acid

Systemtic Name: 5-bromanyl-2-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]benzoic acid Openeye Name: 5-bromo-2-hydroxy-3-[(E)-3-phenylprop-2-enoyl]benzoic acid CAS Name: 5-bromo-2-hydroxy-3-[(E)-1-oxo-3-phenylprop-2-enyl]benzoic acid IUPAC Name: 5-bromo-2-hydroxy-3-[(E)-3-phenylprop-2-enoyl]benzoic acid Traditional Name: 5-bromo-2-hydroxy-3-[(E)-3-phenylacryloyl]benzoic acid Formula: C16H11BrO4 MolecularWeight: 347.16014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)C2=CC(=CC(=C2O)C(=O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)C2=CC(=CC(=C2O)C(=O)O)Br

InChI

InChI=1S/C16H11BrO4/c17-11-8-12(15(19)13(9-11)16(20)21)14(18)7-6-10-4-2-1-3-5-10/h1-9,19H,(H,20,21)/b7-6+