cobalt(2+); methyl 2,2-dicyanoethanoate; 2-pyridin-2-ylpyridine; dicyanide; dihydrate

Systemtic Name: cobalt(2+); methyl 2,2-dicyanoethanoate; 2-pyridin-2-ylpyridine; dicyanide; dihydrate Openeye Name: cobaltous; methyl 2,2-dicyanoacetate; 2-(2-pyridyl)pyridine; dicyanide; dihydrate CAS Name: cobalt(2+); 2,2-dicyanoacetic acid methyl ester; 2-(2-pyridinyl)pyridine; dicyanide; dihydrate IUPAC Name: cobalt(2+); methyl 2,2-dicyanoacetate; 2-pyridin-2-ylpyridine; dicyanide; dihydrate Traditional Name: cobaltous; 2,2-dicyanoacetic acid methyl ester; 2-(2-pyridyl)pyridine; dicyanide; dihydrate Formula: C27H24CoN8O4 MolecularWeight: 583.46386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C#N.[C-]#N.[C-]#N.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.O.O.[Co+2]

Isomeric SMILES

COC(=O)C(C#N)C#N.[C-]#N.[C-]#N.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.O.O.[Co+2]

InChI

InChI=1S/2C10H8N2.C5H4N2O2.2CN.Co.2H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-9-5(8)4(2-6)3-7;2*1-2;;;/h2*1-8H;4H,1H3;;;;2*1H2/q;;;2*-1;+2;;