sodium 3-methyl-5-nitro-imidazole-4-sulfonate

Systemtic Name: sodium 3-methyl-5-nitro-imidazole-4-sulfonate Openeye Name: sodium 3-methyl-5-nitro-imidazole-4-sulfonate CAS Name: sodium 3-methyl-5-nitro-4-imidazolesulfonate IUPAC Name: sodium 3-methyl-5-nitroimidazole-4-sulfonate Traditional Name: sodium 3-methyl-5-nitro-imidazole-4-sulfonate Formula: C4H4N3NaO5S MolecularWeight: 229.14643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1S(=O)(=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

CN1C=NC(=C1S(=O)(=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C4H5N3O5S.Na/c1-6-2-5-3(7(8)9)4(6)13(10,11)12;/h2H,1H3,(H,10,11,12);/q;+1/p-1