Structural Complex
Chemical ID: NFU
IUPAC Name: formyl[bis(hydrocyanato-1kappaC)]ironnickel(Fe-Ni)
Formal Charge: 0
Type: NON-POLYMER
Physiochemical Descriptor:
Formula: C3 H Fe N2 Ni O
Molecular weight: 195.591
Hydrogen Bond Acceptor: 3
Hydrogen Bond Donor: 0
Rotatable Bonds: 1
Heavy Atoms: 8
Systematic name
Program Version Descriptor
ACDLabs 14.52 bis(cyanido-1kappaC)formylironnickel(Fe-Ni)
OpenEye OEToolkits 3.1.0.0 dicyano-methanoyl-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.CHO.Fe.Ni/c3*1-2;;/h;;1H;;
InChIKey InChI 1.06 QCZROEOIPZWDEO-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 [Ni].O=C[Fe](C#N)C#N
SMILES CACTVS 3.385 [Ni].O=C[Fe](C#N)C#N
SMILES_CANONICAL OpenEye OEToolkits 3.1.0.0 C(=O)[Fe](C#N)(C#N)[Ni]
SMILES OpenEye OEToolkits 3.1.0.0 C(=O)[Fe](C#N)(C#N)[Ni]
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