EJ2
Summary
| Name: | NI-FE REDUCED ACTIVE CENTER |
| Formula: | C3 H Fe N2 Ni O |
| Formal charge: | 1 |
| Formula weight: | 195.591 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (dicyano(oxidaniumylidynemethyl)ferrio)-nickelio-hydrogen(1+) |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/2CN.CO.Fe.Ni/c3*1-2;;/q;;+1;;/p+1 |
| InChIKey | InChI | 1.03 | JIXQCBCEPWXSQU-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | [Ni][H+][Fe@@](C#N)(C#N)C#[O+] |
| SMILES | CACTVS | 3.385 | [Ni][H+][Fe](C#N)(C#N)C#[O+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H+]([Fe](C#N)(C#N)C#[O+])[Ni] |
| SMILES | OpenEye OEToolkits | 2.0.6 | [H+]([Fe](C#N)(C#N)C#[O+])[Ni] |
