3-chloranylbenzenecarboperoxoic acid; 2-methylsulfonyl-4-naphthalen-1-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 3-chloranylbenzenecarboperoxoic acid; 2-methylsulfonyl-4-naphthalen-1-yl-pyrimidine-5-carboxylic acid Openeye Name: 3-chlorobenzenecarboperoxoic acid; 2-methylsulfonyl-4-(1-naphthyl)pyrimidine-5-carboxylic acid CAS Name: 3-chlorobenzenecarboperoxoic acid; 2-methylsulfonyl-4-(1-naphthalenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 3-chlorobenzenecarboperoxoic acid; 2-methylsulfonyl-4-naphthalen-1-ylpyrimidine-5-carboxylic acid Traditional Name: 3-chloroperbenzoic acid; 2-mesyl-4-(1-naphthyl)pyrimidine-5-carboxylic acid Formula: C23H17ClN2O7S MolecularWeight: 500.90828

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C2=CC=CC3=CC=CC=C32)C(=O)O.C1=CC(=CC(=C1)Cl)C(=O)OO

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C2=CC=CC3=CC=CC=C32)C(=O)O.C1=CC(=CC(=C1)Cl)C(=O)OO

InChI

InChI=1S/C16H12N2O4S.C7H5ClO3/c1-23(21,22)16-17-9-13(15(19)20)14(18-16)12-8-4-6-10-5-2-3-7-11(10)12;8-6-3-1-2-5(4-6)7(9)11-10/h2-9H,1H3,(H,19,20);1-4,10H