82N
Summary
| Name: | NICKEL IRON CLSUTER WITH CYANIDE BOUND |
| Formula: | C Fe3 N Ni S4 |
| Formal charge: | 3 |
| Formula weight: | 380.506 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/CN.3Fe.Ni.4S/c1-2;;;;;;;;/q;;;;;;3*+1 |
| InChIKey | InChI | 1.03 | FCGMBZZPUCDYKZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#C[Ni]12[S@@+]3[Fe]|456S[Fe]78|4[S+]5[Fe]1367[S@+]28 |
| SMILES | CACTVS | 3.385 | N#C[Ni]12[S+]3[Fe]|456S[Fe]78|4[S+]5[Fe]1367[S+]28 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(#N)[Ni]12[S@+]3[Fe]1456[S@@+]2[Fe]478[Fe]53([S+]67)S8 |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(#N)[Ni]12[S+]3[Fe]1456[S+]2[Fe]478[Fe]53([S+]67)S8 |
