6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-olate; 2-nitro-5-oxidanyl-benzenecarbonitrile

Systemtic Name: 6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-olate; 2-nitro-5-oxidanyl-benzenecarbonitrile Openeye Name: 5-hydroxy-2-nitro-benzonitrile; 3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-olate CAS Name: 5-hydroxy-2-nitrobenzonitrile; 3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanolate IUPAC Name: 5-hydroxy-2-nitrobenzonitrile; 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-olate Traditional Name: 5-hydroxy-2-nitro-benzonitrile; 3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-olate Formula: C13H15N2O9- MolecularWeight: 343.2662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)C#N)[N+](=O)[O-].C(C1C(C(C(C(O1)[O-])O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1O)C#N)[N+](=O)[O-].C(C1C(C(C(C(O1)[O-])O)O)O)O

InChI

InChI=1S/C7H4N2O3.C6H11O6/c8-4-5-3-6(10)1-2-7(5)9(11)12;7-1-2-3(8)4(9)5(10)6(11)12-2/h1-3,10H;2-10H,1H2/q;-1