A1JPX
Summary
| Name: | FE(8)-S(7) CLUSTER, P1+ state conformer B |
| Formula: | Fe8 S7 |
| Formal charge: | 0 |
| Formula weight: | 671.215 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/8Fe.HS.6S/h;;;;;;;;1H;;;;;; |
| InChIKey | InChI | 1.06 | DZYOHONNTYKRPX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | S1[Fe]S[Fe]1.S2[Fe]S[Fe][S]3([Fe]S[Fe]2)[Fe]S[Fe]3 |
| SMILES | CACTVS | 3.385 | S1[Fe]S[Fe]1.S2[Fe]S[Fe][S]3([Fe]S[Fe]2)[Fe]S[Fe]3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [S]12[Fe][S]3[Fe]1[S]4[Fe]2[S]56([Fe]34)[Fe]7[S]8[Fe]5[S]9[Fe]8[S]7[Fe]69 |
| SMILES | OpenEye OEToolkits | 2.0.7 | [S]12[Fe][S]3[Fe]1[S]4[Fe]2[S]56([Fe]34)[Fe]7[S]8[Fe]5[S]9[Fe]8[S]7[Fe]69 |
