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

Systemtic Name: 3-[(2-bromophenyl)methylsulfonyl]benzoic acid Openeye Name: 3-[(2-bromophenyl)methylsulfonyl]benzoic acid CAS Name: 3-[(2-bromophenyl)methylsulfonyl]benzoic acid IUPAC Name: 3-[(2-bromophenyl)methylsulfonyl]benzoic acid Traditional Name: 3-(2-bromobenzyl)sulfonylbenzoic acid Formula: C14H11BrO4S MolecularWeight: 355.20374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11BrO4S/c15-13-7-2-1-4-11(13)9-20(18,19)12-6-3-5-10(8-12)14(16)17/h1-8H,9H2,(H,16,17)