(4-hydroxyphenyl) 3-methyl-5-nitro-imidazole-4-sulfonate

Systemtic Name: (4-hydroxyphenyl) 3-methyl-5-nitro-imidazole-4-sulfonate Openeye Name: (4-hydroxyphenyl) 3-methyl-5-nitro-imidazole-4-sulfonate CAS Name: 3-methyl-5-nitro-4-imidazolesulfonic acid (4-hydroxyphenyl) ester IUPAC Name: (4-hydroxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate Traditional Name: 3-methyl-5-nitro-imidazole-4-sulfonic acid (4-hydroxyphenyl) ester Formula: C10H9N3O6S MolecularWeight: 299.25996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1S(=O)(=O)OC2=CC=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1S(=O)(=O)OC2=CC=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C10H9N3O6S/c1-12-6-11-9(13(15)16)10(12)20(17,18)19-8-4-2-7(14)3-5-8/h2-6,14H,1H3