NFS
Summary
| Name: | FE(4)-NI(1)-S(5) CLUSTER |
| Formula: | Fe4 Ni S5 |
| Formal charge: | 0 |
| Formula weight: | 442.398 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 | 1.06 | InChI=1S/4Fe.Ni.5S |
| InChIKey | InChI | 1.06 | DHBVHUGSWMHFLY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [Ni]S[Fe]S[Fe]1S[Fe]S[Fe]S1 |
| SMILES | CACTVS | 3.385 | [Ni]S[Fe]S[Fe]1S[Fe]S[Fe]S1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | S1[Fe][S]2[Fe]3[S@@]4[Ni]1[S@]5[Fe]4[S]3[Fe]52 |
| SMILES | OpenEye OEToolkits | 2.0.7 | S1[Fe][S]2[Fe]3[S]4[Fe]2[S]5[Fe]4[S]3[Ni]51 |
