Summary
| Name: | NI-FE ACTIVE CENTER B-FORM |
| Formula: | C3 H2 Fe N Ni O3 |
| Formal charge: | 0 |
| Formula weight: | 214.591 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.5.0 | (cyano-dimethanoyl-ferrio)oxynickel |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.02b | InChI=1/CN.2CHO.Fe.Ni.O/c3*1-2;;;/h;2*1H;;;/rC3H2FeNNiO3/c5-1-4(2-7,3-8)9-6/h2-3H |
| InChIKey | InChI | 1.02b | FQZPNHHVQDQMNS-YIXQKJCHAH |
| SMILES_CANONICAL | CACTVS | 3.341 | [Ni]O[Fe@](C=O)(C=O)C#N |
| SMILES | CACTVS | 3.341 | [Ni]O[Fe](C=O)(C=O)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(=O)[Fe](C=O)(C#N)O[Ni] |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(=O)[Fe](C=O)(C#N)O[Ni] |
