1-bromanyl-4-(phenylcarbonyl)cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 1-bromanyl-4-(phenylcarbonyl)cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 4-benzoyl-1-bromo-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4-benzoyl-1-bromo-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4-benzoyl-1-bromocyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 4-benzoyl-1-bromo-cyclohexa-2,5-diene-1-carboxylic acid Formula: C14H11BrO3 MolecularWeight: 307.13934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2C=CC(C=C2)(C(=O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2C=CC(C=C2)(C(=O)O)Br

InChI

InChI=1S/C14H11BrO3/c15-14(13(17)18)8-6-11(7-9-14)12(16)10-4-2-1-3-5-10/h1-9,11H,(H,17,18)