1-[5-(acetyloxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-cyano-pyridazin-1-ium-3-olate

Systemtic Name: 1-[5-(acetyloxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-cyano-pyridazin-1-ium-3-olate Openeye Name: 1-[5-(acetoxymethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-4-cyano-pyridazin-1-ium-3-olate CAS Name: 1-[5-(acetyloxymethyl)-3,4-dihydroxy-2-oxolanyl]-4-cyano-3-pyridazin-1-iumolate IUPAC Name: 1-[5-(acetyloxymethyl)-3,4-dihydroxyoxolan-2-yl]-4-cyanopyridazin-1-ium-3-olate Traditional Name: 1-[5-(acetoxymethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-4-cyano-pyridazin-1-ium-3-olate Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)[N+]2=NC(=C(C=C2)C#N)[O-])O)O

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)[N+]2=NC(=C(C=C2)C#N)[O-])O)O

InChI

InChI=1S/C12H13N3O6/c1-6(16)20-5-8-9(17)10(18)12(21-8)15-3-2-7(4-13)11(19)14-15/h2-3,8-10,12,17-18H,5H2,1H3