UFF
Summary
| Name: | FE(7)-S(7) CLUSTER |
| Formula: | Fe7 S7 |
| Formal charge: | 0 |
| Formula weight: | 615.37 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/7Fe.HS.6S/h;;;;;;;1H;;;;;; |
| InChIKey | InChI | 1.06 | PVYXUKKSKYTPFX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | S1[Fe]S[Fe](S[Fe]1)[S]23[Fe]S[Fe]S[Fe]2S[Fe]3 |
| SMILES | CACTVS | 3.385 | S1[Fe]S[Fe](S[Fe]1)[S]23[Fe]S[Fe]S[Fe]2S[Fe]3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | S1[Fe]2S[Fe]3[S]2[Fe]1[S]345[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58 |
| SMILES | OpenEye OEToolkits | 2.0.7 | S1[Fe]2S[Fe]3[S]2[Fe]1[S]345[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58 |
