3-bromanyl-2-methyl-6-methylsulfonyl-benzoic acid

Systemtic Name: 3-bromanyl-2-methyl-6-methylsulfonyl-benzoic acid Openeye Name: 3-bromo-2-methyl-6-methylsulfonyl-benzoic acid CAS Name: 3-bromo-2-methyl-6-methylsulfonylbenzoic acid IUPAC Name: 3-bromo-2-methyl-6-methylsulfonylbenzoic acid Traditional Name: 3-bromo-6-mesyl-2-methyl-benzoic acid Formula: C9H9BrO4S MolecularWeight: 293.13436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)O)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)O)S(=O)(=O)C)Br

InChI

InChI=1S/C9H9BrO4S/c1-5-6(10)3-4-7(15(2,13)14)8(5)9(11)12/h3-4H,1-2H3,(H,11,12)