3-methyl-5-nitro-imidazole-4-sulfonic acid

Systemtic Name: 3-methyl-5-nitro-imidazole-4-sulfonic acid Openeye Name: 3-methyl-5-nitro-imidazole-4-sulfonic acid CAS Name: 3-methyl-5-nitro-4-imidazolesulfonic acid IUPAC Name: 3-methyl-5-nitroimidazole-4-sulfonic acid Traditional Name: 3-methyl-5-nitro-imidazole-4-sulfonic acid Formula: C4H5N3O5S MolecularWeight: 207.1646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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