J52
Summary
| Name: | dicyano-(oxidaniumylidynemethylnickelio)-(oxidanylidenemethylidene)iron |
| Formula: | C4 Fe N2 Ni O2 |
| Formal charge: | 1 |
| Formula weight: | 222.593 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (carbon monooxido-2kappaC)bis(cyanido-1kappaC)(oxomethylidene)ironnickel(1+)(Fe-Ni) |
| OpenEye OEToolkits | 3.1.0.0 | dicyano-(oxidaniumylidynemethylnickelio)-(oxidanylidenemethylidene)iron |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | N#C[Fe](C#N)([Ni]C#[O+])=C=O |
| InChI | InChI | 1.06 | InChI=1S/2CN.2CO.Fe.Ni/c4*1-2;;/q;;;+1;; |
| InChIKey | InChI | 1.06 | MJFCHCXJXOCHFY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [Ni]C#[O+].O=C=[Fe](C#N)C#N |
| SMILES | CACTVS | 3.385 | [Ni]C#[O+].O=C=[Fe](C#N)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(#N)[Fe](=C=O)(C#N)[Ni]C#[O+] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(#N)[Fe](=C=O)(C#N)[Ni]C#[O+] |
