2-[(3-bromophenyl)methylsulfonyl]ethanoic acid

Systemtic Name: 2-[(3-bromophenyl)methylsulfonyl]ethanoic acid Openeye Name: 2-[(3-bromophenyl)methylsulfonyl]acetic acid CAS Name: 2-[(3-bromophenyl)methylsulfonyl]acetic acid IUPAC Name: 2-[(3-bromophenyl)methylsulfonyl]acetic acid Traditional Name: 2-(3-bromobenzyl)sulfonylacetic acid Formula: C9H9BrO4S MolecularWeight: 293.13436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CS(=O)(=O)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)CS(=O)(=O)CC(=O)O

InChI

InChI=1S/C9H9BrO4S/c10-8-3-1-2-7(4-8)5-15(13,14)6-9(11)12/h1-4H,5-6H2,(H,11,12)