carbanide; cobalt; iron; iron(6+); 6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide; 2-piperidin-1-id-2-ylpiperidin-1-ide; octacyanide; hydrate

Systemtic Name: carbanide; cobalt; iron; iron(6+); 6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide; 2-piperidin-1-id-2-ylpiperidin-1-ide; octacyanide; hydrate Openeye Name: carbanide; cobalt; iron; iron(6+); 6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide; 2-piperidin-1-id-2-ylpiperidin-1-ide; octacyanide; hydrate CAS Name: carbanide; cobalt; iron; iron(6+); 6-(2-piperidin-1-idyl)-3,6-dihydro-2H-pyridin-1-ide; 2-(2-piperidin-1-idyl)piperidin-1-ide; octacyanide; hydrate IUPAC Name: carbanide; cobalt; iron; iron(6+); 6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide; 2-piperidin-1-id-2-ylpiperidin-1-ide; octacyanide; hydrate Traditional Name: carbanide; cobalt; iron; iron(6+); 6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide; 2-piperidin-1-id-2-ylpiperidin-1-ide; octacyanide; hydrate Formula: C31H45CoFe5N12O-3 MolecularWeight: 939.927

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].[CH3-].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.C1CC[N-]C(C1)C2CCCC[N-]2.C1CC[N-]C(C1)C2C=CCC[N-]2.O.[Fe].[Fe].[Fe].[Fe+6].[Fe+6].[Co]

Isomeric SMILES

[CH3-].[CH3-].[CH3-].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.C1CC[N-]C(C1)C2CCCC[N-]2.C1CC[N-]C(C1)C2C=CCC[N-]2.O.[Fe].[Fe].[Fe].[Fe+6].[Fe+6].[Co]

InChI

InChI=1S/C10H18N2.C10H16N2.8CN.3CH3.Co.5Fe.H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;8*1-2;;;;;;;;;;/h9-10H,1-8H2;1,5,9-10H,2-4,6-8H2;;;;;;;;;3*1H3;;;;;;;1H2/q2*-2;11*-1;;;;;2*+6;