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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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