1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazole-4-sulfonate

Systemtic Name: 1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazole-4-sulfonate Openeye Name: 1,3-dimethyl-6-nitro-2-oxo-benzimidazole-4-sulfonate CAS Name: 1,3-dimethyl-6-nitro-2-oxo-4-benzimidazolesulfonate IUPAC Name: 1,3-dimethyl-6-nitro-2-oxobenzimidazole-4-sulfonate Traditional Name: 2-keto-1,3-dimethyl-6-nitro-benzimidazole-4-sulfonate Formula: C9H8N3O6S- MolecularWeight: 286.24132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=CC(=C2N(C1=O)C)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC(=CC(=C2N(C1=O)C)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H9N3O6S/c1-10-6-3-5(12(14)15)4-7(19(16,17)18)8(6)11(2)9(10)13/h3-4H,1-2H3,(H,16,17,18)/p-1