4-bromanyl-3-methylsulfonyl-benzoic acid

Systemtic Name: 4-bromanyl-3-methylsulfonyl-benzoic acid Openeye Name: 4-bromo-3-methylsulfonyl-benzoic acid CAS Name: 4-bromo-3-methylsulfonylbenzoic acid IUPAC Name: 4-bromo-3-methylsulfonylbenzoic acid Traditional Name: 4-bromo-3-mesyl-benzoic acid Formula: C8H7BrO4S MolecularWeight: 279.10778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7BrO4S/c1-14(12,13)7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3,(H,10,11)