2-[(4-bromophenyl)methylsulfonyl]ethanoic acid

Systemtic Name: 2-[(4-bromophenyl)methylsulfonyl]ethanoic acid Openeye Name: 2-[(4-bromophenyl)methylsulfonyl]acetic acid CAS Name: 2-[(4-bromophenyl)methylsulfonyl]acetic acid IUPAC Name: 2-[(4-bromophenyl)methylsulfonyl]acetic acid Traditional Name: 2-(4-bromobenzyl)sulfonylacetic acid Formula: C9H9BrO4S MolecularWeight: 293.13436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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