2-(2-methyl-5-nitro-imidazol-1-yl)ethyl hydrogen sulfate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl hydrogen sulfate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl hydrogen sulfate CAS Name: sulfuric acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl hydrogen sulfate Traditional Name: sulfuric acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C6H9N3O6S MolecularWeight: 251.21716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOS(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOS(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C6H9N3O6S/c1-5-7-4-6(9(10)11)8(5)2-3-15-16(12,13)14/h4H,2-3H2,1H3,(H,12,13,14)