Structural Complex
Chemical ID: FCO
IUPAC Name: CARBONMONOXIDE-(DICYANO) IRON
Formal Charge: 0
Type: NON-POLYMER
Physiochemical Descriptor:
Formula: C3 Fe N2 O
Molecular weight: 135.890
Hydrogen Bond Acceptor:
Hydrogen Bond Donor:
Rotatable Bonds:
Heavy Atoms:
Systematic name
Program Version Descriptor
ACDLabs 14.52 (carbonyl-kappaC)bis(cyanido-kappaC)iron
OpenEye OEToolkits 3.1.0.0 dicyano($l^{3}-oxidanylidynemethyl)iron
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 14.52 N#C[Fe](C#N)C#O
InChI InChI 1.06 InChI=1S/2CN.CO.Fe/c3*1-2;
InChIKey InChI 1.06 VBQUCMTXYFMTTE-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 [C-]#[O+].N#C[Fe]C#N
SMILES CACTVS 3.385 [C-]#[O+].N#C[Fe]C#N
SMILES_CANONICAL OpenEye OEToolkits 3.1.0.0 C(#N)[Fe](C#N)C#O
SMILES OpenEye OEToolkits 3.1.0.0 C(#N)[Fe](C#N)C#O
Chemical Database Mapping
Database Reference ID
ChEBI 47409
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