NFC
Summary
| Name: | NI-FE ACTIVE CENTER A-FORM |
| Formula: | C3 H Fe N Ni O4 |
| Formal charge: | null |
| Formula weight: | 229.583 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | bis(carbon monooxido-1kappaC)(cyanido-1kappaC)(mu-dioxidan-1-ido-1kappaO~1~:2kappaO~1~)ironnickel(2+) |
| OpenEye OEToolkits | 3.1.0.0 | cyano-[nickelio(oxidanyl)-$l^{3}-oxidanyl]-bis(oxidaniumylidynemethyl)iron |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | [O+]#C[Fe](C#N)(C#[O+])O([Ni])O |
| InChI | InChI | 1.06 | InChI=1S/CN.2CO.Fe.Ni.HO2/c3*1-2;;;1-2/h;;;;;1H/q;2*+1;;; |
| InChIKey | InChI | 1.06 | OXEMTOOXEJABPY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OO[Ni].N#C[Fe](C#[O+])C#[O+] |
| SMILES | CACTVS | 3.385 | OO[Ni].N#C[Fe](C#[O+])C#[O+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(#N)[Fe](C#[O+])(C#[O+])O(O)[Ni] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(#N)[Fe](C#[O+])(C#[O+])O(O)[Ni] |
