dioxidanium; [(Z)-furan-3-ylmethylideneamino]-pyridin-4-ylcarbonyl-azanide; nickel(2+); pyridine; ethanoate

Systemtic Name: dioxidanium; [(Z)-furan-3-ylmethylideneamino]-pyridin-4-ylcarbonyl-azanide; nickel(2+); pyridine; ethanoate Openeye Name: nickelous; dioxonium; [(Z)-3-furylmethyleneamino]-(pyridine-4-carbonyl)azanide; pyridine; acetate CAS Name: dioxonium; [(Z)-3-furanylmethylideneamino]-[oxo(pyridin-4-yl)methyl]azanide; nickel(2+); pyridine; acetate IUPAC Name: dioxidanium; [(Z)-furan-3-ylmethylideneamino]-(pyridine-4-carbonyl)azanide; nickel(2+); pyridine; acetate Traditional Name: nickelous; dioxonium; [(Z)-3-furfurylideneamino]-isonicotinoyl-azanide; pyridine; acetate Formula: C18H22N4NiO6+2 MolecularWeight: 449.08388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=NC=C1.C1=CN=CC=C1C(=O)[N-]N=CC2=COC=C2.[OH3+].[OH3+].[Ni+2]

Isomeric SMILES

CC(=O)[O-].C1=CC=NC=C1.C1=CN=CC=C1C(=O)[N-]/N=C\C2=COC=C2.[OH3+].[OH3+].[Ni+2]

InChI

InChI=1S/C11H9N3O2.C5H5N.C2H4O2.Ni.2H2O/c15-11(10-1-4-12-5-2-10)14-13-7-9-3-6-16-8-9;1-2-4-6-5-3-1;1-2(3)4;;;/h1-8H,(H,14,15);1-5H;1H3,(H,3,4);;2*1H2/q;;;+2;;/b13-7-;;;;;