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

Systemtic Name: 3-(bromomethyl)-2-methyl-4-methylsulfonyl-benzoic acid Openeye Name: 3-(bromomethyl)-2-methyl-4-methylsulfonyl-benzoic acid CAS Name: 3-(bromomethyl)-2-methyl-4-methylsulfonylbenzoic acid IUPAC Name: 3-(bromomethyl)-2-methyl-4-methylsulfonylbenzoic acid Traditional Name: 3-(bromomethyl)-4-mesyl-2-methyl-benzoic acid Formula: C10H11BrO4S MolecularWeight: 307.16094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1CBr)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1CBr)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C10H11BrO4S/c1-6-7(10(12)13)3-4-9(8(6)5-11)16(2,14)15/h3-4H,5H2,1-2H3,(H,12,13)