NFO
Summary
| Name: | NI-FE OXIDIZED ACTIVE CENTER |
| Formula: | C3 Fe N Ni O3 |
| Formal charge: | null |
| Formula weight: | 212.575 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | For multi-component charged structures, a total zero charge is required! |
| OpenEye OEToolkits | 3.1.0.0 | cyano-nickeliooxy-bis(oxidaniumylidynemethyl)iron |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | N#C[Fe](C#[O+])(C#[O+])O[Ni] |
| InChI | InChI | 1.06 | InChI=1S/CN.2CO.Fe.Ni.O/c3*1-2;;;/q;2*+1;;; |
| InChIKey | InChI | 1.06 | CXUIYDOHJGWIJE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [Ni]O[Fe@](C#N)(C#[O+])C#[O+] |
| SMILES | CACTVS | 3.385 | [Ni]O[Fe](C#N)(C#[O+])C#[O+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(#N)[Fe](C#[O+])(C#[O+])O[Ni] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(#N)[Fe](C#[O+])(C#[O+])O[Ni] |
