2-bromanyl-5-[(4-bromophenyl)methylsulfonyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[(4-bromophenyl)methylsulfonyl]benzoic acid Openeye Name: 2-bromo-5-[(4-bromophenyl)methylsulfonyl]benzoic acid CAS Name: 2-bromo-5-[(4-bromophenyl)methylsulfonyl]benzoic acid IUPAC Name: 2-bromo-5-[(4-bromophenyl)methylsulfonyl]benzoic acid Traditional Name: 2-bromo-5-(4-bromobenzyl)sulfonyl-benzoic acid Formula: C14H10Br2O4S MolecularWeight: 434.0998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)Br

InChI

InChI=1S/C14H10Br2O4S/c15-10-3-1-9(2-4-10)8-21(19,20)11-5-6-13(16)12(7-11)14(17)18/h1-7H,8H2,(H,17,18)