3-(bromomethyl)-2-chloranyl-4-methylsulfonyl-benzoic acid

Systemtic Name: 3-(bromomethyl)-2-chloranyl-4-methylsulfonyl-benzoic acid Openeye Name: 3-(bromomethyl)-2-chloro-4-methylsulfonyl-benzoic acid CAS Name: 3-(bromomethyl)-2-chloro-4-methylsulfonylbenzoic acid IUPAC Name: 3-(bromomethyl)-2-chloro-4-methylsulfonylbenzoic acid Traditional Name: 3-(bromomethyl)-2-chloro-4-mesyl-benzoic acid Formula: C9H8BrClO4S MolecularWeight: 327.57942

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)CBr

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)CBr

InChI

InChI=1S/C9H8BrClO4S/c1-16(14,15)7-3-2-5(9(12)13)8(11)6(7)4-10/h2-3H,4H2,1H3,(H,12,13)