3-[(2S)-2-bromanyl-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 3-[(2S)-2-bromanyl-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid Openeye Name: 3-[(2S)-2-bromo-3-hydroxy-3-oxo-propyl]benzoic acid CAS Name: 3-[(2S)-2-bromo-3-hydroxy-3-oxopropyl]benzoic acid IUPAC Name: 3-[(2S)-2-bromo-3-hydroxy-3-oxopropyl]benzoic acid Traditional Name: 3-[(2S)-2-bromo-3-hydroxy-3-keto-propyl]benzoic acid Formula: C10H9BrO4 MolecularWeight: 273.08006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC(=C1)C[C@@H](C(=O)O)Br)C(=O)O

InChI

InChI=1S/C10H9BrO4/c11-8(10(14)15)5-6-2-1-3-7(4-6)9(12)13/h1-4,8H,5H2,(H,12,13)(H,14,15)/t8-/m0/s1