nickel(2+); 4-pentan-3-ylpyridine; dithiocyanate

Systemtic Name: nickel(2+); 4-pentan-3-ylpyridine; dithiocyanate Openeye Name: nickelous 4-(1-ethylpropyl)pyridine dithiocyanate CAS Name: nickel(2+); 4-pentan-3-ylpyridine; dithiocyanate IUPAC Name: nickel(2+); 4-pentan-3-ylpyridine; dithiocyanate Traditional Name: nickelous 4-(1-ethylpropyl)pyridine dithiocyanate Formula: C42H60N6NiS2 MolecularWeight: 771.7894

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=NC=C1.CCC(CC)C1=CC=NC=C1.CCC(CC)C1=CC=NC=C1.CCC(CC)C1=CC=NC=C1.C(#N)[S-].C(#N)[S-].[Ni+2]

Isomeric SMILES

CCC(CC)C1=CC=NC=C1.CCC(CC)C1=CC=NC=C1.CCC(CC)C1=CC=NC=C1.CCC(CC)C1=CC=NC=C1.C(#N)[S-].C(#N)[S-].[Ni+2]

InChI

InChI=1S/4C10H15N.2CHNS.Ni/c4*1-3-9(4-2)10-5-7-11-8-6-10;2*2-1-3;/h4*5-9H,3-4H2,1-2H3;2*3H;/q;;;;;;+2/p-2