Structural Complex
Chemical ID: NFU
IUPAC Name: formyl[bis(hydrocyanato-1kappaC)]ironnickel(Fe-Ni)
Formal Charge: 0
Type: NON-POLYMER
Physiochemical Descriptor:
Formula: C3 Fe N2 Ni O
Molecular weight: 194.583
Hydrogen Bond Acceptor:
Hydrogen Bond Donor:
Rotatable Bonds:
Heavy Atoms:
Systematic name
Program Version Descriptor
ACDLabs 14.52 (carbon monooxido-1kappaC)bis(cyanido-1kappaC)ironnickel(Fe-Ni)
OpenEye OEToolkits 3.1.0.0 dicyano-($l^{3}-oxidanylidynemethyl)-nickelio-iron
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 14.52 N#C[Fe]([Ni])(C#N)C#O
InChI InChI 1.06 InChI=1S/2CN.CO.Fe.Ni/c3*1-2;;
InChIKey InChI 1.06 DMIYQIPDCONFNN-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 [Ni].[C-]#[O+].N#C[Fe]C#N
SMILES CACTVS 3.385 [Ni].[C-]#[O+].N#C[Fe]C#N
SMILES_CANONICAL OpenEye OEToolkits 3.1.0.0 C(#N)[Fe](C#N)(C#O)[Ni]
SMILES OpenEye OEToolkits 3.1.0.0 C(#N)[Fe](C#N)(C#O)[Ni]
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