NFV
Summary
Name: | NI-FE OXIDIZED ACTIVE CENTER |
Formula: | C3 Fe N2 Ni O2 |
Formal charge: | 0 |
Formula weight: | 210.583 Da |
Component type: | NON-POLYMER |
Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.370 | [Ni]O[Fe](|[C-]#[O+])(C#N)C#N |
SMILES | CACTVS | 3.370 | [Ni]O[Fe](|[C-]#[O+])(C#N)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C(#N)[Fe](C#N)(C#O)O[Ni] |
SMILES | OpenEye OEToolkits | 1.7.0 | C(#N)[Fe](C#N)(C#O)O[Ni] |
InChI | InChI | 1.03 | InChI=1S/2CN.CO.Fe.Ni.O/c3*1-2;;; |
InChIKey | InChI | 1.03 | MPQMGFDSXFFIQL-UHFFFAOYSA-N |