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

Systemtic Name: 4-cyano-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyridazin-1-ium-3-olate Openeye Name: 4-cyano-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyridazin-1-ium-3-olate CAS Name: 4-cyano-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-pyridazin-1-iumolate IUPAC Name: 4-cyano-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridazin-1-ium-3-olate Traditional Name: 4-cyano-1-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)pyridazin-1-ium-3-olate Formula: C10H11N3O5 MolecularWeight: 253.21144

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=NC(=C1C#N)[O-])C2C(C(C(O2)CO)O)O

Isomeric SMILES

C1=C[N+](=NC(=C1C#N)[O-])C2C(C(C(O2)CO)O)O

InChI

InChI=1S/C10H11N3O5/c11-3-5-1-2-13(12-9(5)17)10-8(16)7(15)6(4-14)18-10/h1-2,6-8,10,14-16H,4H2