benzoic acid; N-methylsulfonyl-N-nitro-methanesulfonamide

Systemtic Name: benzoic acid; N-methylsulfonyl-N-nitro-methanesulfonamide Openeye Name: benzoic acid; N-methylsulfonyl-N-nitro-methanesulfonamide CAS Name: benzoic acid; N-methylsulfonyl-N-nitromethanesulfonamide IUPAC Name: benzoic acid; N-methylsulfonyl-N-nitromethanesulfonamide Traditional Name: benzoic acid; N-mesyl-N-nitro-methanesulfonamide Formula: C9H12N2O8S2 MolecularWeight: 340.33018

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N([N+](=O)[O-])S(=O)(=O)C.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CS(=O)(=O)N([N+](=O)[O-])S(=O)(=O)C.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C7H6O2.C2H6N2O6S2/c8-7(9)6-4-2-1-3-5-6;1-11(7,8)4(3(5)6)12(2,9)10/h1-5H,(H,8,9);1-2H3