WCC
Summary
| Name: | FE(3)-NI(1)-S(4) CLUSTER |
| Synonyms: | C CLUSTER CUBANE |
| Formula: | Fe3 Ni S4 |
| Formal charge: | 0 |
| Formula weight: | 354.488 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/3Fe.Ni.4S |
| InChIKey | InChI | 1.06 | SEEZYPKDPRYISB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | S1[Fe]S[Fe]1.S2[Fe]S[Ni]2 |
| SMILES | CACTVS | 3.385 | S1[Fe]S[Fe]1.S2[Fe]S[Ni]2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ni]45 |
| SMILES | OpenEye OEToolkits | 2.0.7 | [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ni]45 |
