4-(2-bromophenyl)-2-methylsulfonyl-pyrimidine-5-carboxylic acid; 3-chloranylbenzenecarboperoxoic acid

Systemtic Name: 4-(2-bromophenyl)-2-methylsulfonyl-pyrimidine-5-carboxylic acid; 3-chloranylbenzenecarboperoxoic acid Openeye Name: 4-(2-bromophenyl)-2-methylsulfonyl-pyrimidine-5-carboxylic acid; 3-chlorobenzenecarboperoxoic acid CAS Name: 4-(2-bromophenyl)-2-methylsulfonyl-5-pyrimidinecarboxylic acid; 3-chlorobenzenecarboperoxoic acid IUPAC Name: 4-(2-bromophenyl)-2-methylsulfonylpyrimidine-5-carboxylic acid; 3-chlorobenzenecarboperoxoic acid Traditional Name: 4-(2-bromophenyl)-2-mesyl-pyrimidine-5-carboxylic acid; 3-chloroperbenzoic acid Formula: C19H14BrClN2O7S MolecularWeight: 529.74566

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C2=CC=CC=C2Br)C(=O)O.C1=CC(=CC(=C1)Cl)C(=O)OO

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C2=CC=CC=C2Br)C(=O)O.C1=CC(=CC(=C1)Cl)C(=O)OO

InChI

InChI=1S/C12H9BrN2O4S.C7H5ClO3/c1-20(18,19)12-14-6-8(11(16)17)10(15-12)7-4-2-3-5-9(7)13;8-6-3-1-2-5(4-6)7(9)11-10/h2-6H,1H3,(H,16,17);1-4,10H