2-bromanyl-4-methyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-4-methyl-5-methylsulfonyl-benzoic acid Openeye Name: 2-bromo-4-methyl-5-methylsulfonyl-benzoic acid CAS Name: 2-bromo-4-methyl-5-methylsulfonylbenzoic acid IUPAC Name: 2-bromo-4-methyl-5-methylsulfonylbenzoic acid Traditional Name: 2-bromo-5-mesyl-4-methyl-benzoic acid Formula: C9H9BrO4S MolecularWeight: 293.13436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)Br)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C(=C1)Br)C(=O)O)S(=O)(=O)C

InChI

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