2-bromanyl-5-[(3-chlorophenyl)methylsulfonyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[(3-chlorophenyl)methylsulfonyl]benzoic acid Openeye Name: 2-bromo-5-[(3-chlorophenyl)methylsulfonyl]benzoic acid CAS Name: 2-bromo-5-[(3-chlorophenyl)methylsulfonyl]benzoic acid IUPAC Name: 2-bromo-5-[(3-chlorophenyl)methylsulfonyl]benzoic acid Traditional Name: 2-bromo-5-(3-chlorobenzyl)sulfonyl-benzoic acid Formula: C14H10BrClO4S MolecularWeight: 389.6488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C14H10BrClO4S/c15-13-5-4-11(7-12(13)14(17)18)21(19,20)8-9-2-1-3-10(16)6-9/h1-7H,8H2,(H,17,18)