carbanide; iron; iron(6+); 2-piperidin-1-id-2-ylpiperidin-1-ide; 6-piperidin-1-id-2-yl-2H-pyridin-1-ide; terbium; octacyanide; tetrahydrate

Systemtic Name: carbanide; iron; iron(6+); 2-piperidin-1-id-2-ylpiperidin-1-ide; 6-piperidin-1-id-2-yl-2H-pyridin-1-ide; terbium; octacyanide; tetrahydrate Openeye Name: carbanide; iron; iron(6+); 2-piperidin-1-id-2-ylpiperidin-1-ide; 6-piperidin-1-id-2-yl-2H-pyridin-1-ide; terbium; octacyanide; tetrahydrate CAS Name: carbanide; iron; iron(6+); 2-(2-piperidin-1-idyl)piperidin-1-ide; 6-(2-piperidin-1-idyl)-2H-pyridin-1-ide; terbium; octacyanide; tetrahydrate IUPAC Name: carbanide; iron; iron(6+); 2-piperidin-1-id-2-ylpiperidin-1-ide; 6-piperidin-1-id-2-yl-2H-pyridin-1-ide; terbium; octacyanide; tetrahydrate Traditional Name: carbanide; iron; iron(6+); 2-piperidin-1-id-2-ylpiperidin-1-ide; 6-piperidin-1-id-2-yl-2H-pyridin-1-ide; terbium; octacyanide; tetrahydrate Formula: C30H46Fe4N12O4Tb-2 MolecularWeight: 1021.06958

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Descriptors Computed from Structure

Canonical SMILES:

[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)C2=CC=CC[N-]2.O.O.O.O.[Fe].[Fe].[Fe+6].[Fe+6].[Tb]

Isomeric SMILES

[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)C2=CC=CC[N-]2.O.O.O.O.[Fe].[Fe].[Fe+6].[Fe+6].[Tb]

InChI

InChI=1S/C10H18N2.C10H14N2.8CN.2CH3.4Fe.4H2O.Tb/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;8*1-2;;;;;;;;;;;/h9-10H,1-8H2;1,3,5,10H,2,4,6-8H2;;;;;;;;;2*1H3;;;;;4*1H2;/q2*-2;10*-1;;;2*+6;;;;;