2-(hydroxymethyl)-6-(2-nitroimidazol-1-yl)thiane-3,4,5-triol

Systemtic Name: 2-(hydroxymethyl)-6-(2-nitroimidazol-1-yl)thiane-3,4,5-triol Openeye Name: 2-(hydroxymethyl)-6-(2-nitroimidazol-1-yl)tetrahydrothiopyran-3,4,5-triol CAS Name: 2-(hydroxymethyl)-6-(2-nitro-1-imidazolyl)thiane-3,4,5-triol IUPAC Name: 2-(hydroxymethyl)-6-(2-nitroimidazol-1-yl)thiane-3,4,5-triol Traditional Name: 2-methylol-6-(2-nitroimidazol-1-yl)tetrahydrothiopyran-3,4,5-triol Formula: C9H13N3O6S MolecularWeight: 291.28102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=N1)[N+](=O)[O-])C2C(C(C(C(S2)CO)O)O)O

Isomeric SMILES

C1=CN(C(=N1)[N+](=O)[O-])C2C(C(C(C(S2)CO)O)O)O

InChI

InChI=1S/C9H13N3O6S/c13-3-4-5(14)6(15)7(16)8(19-4)11-2-1-10-9(11)12(17)18/h1-2,4-8,13-16H,3H2