BJ8
Summary
| Name: | Double cubane cluster |
| Formula: | Fe8 S9 |
| Formal charge: | 0 |
| Formula weight: | 735.345 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/8Fe.9S |
| InChIKey | InChI | 1.03 | CSVVAMDLRWBOEA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | S1[Fe]S[Fe]1.S2[Fe]S[Fe]2.S3[Fe]S[Fe]3S[Fe]4S[Fe]S4 |
| SMILES | CACTVS | 3.385 | S1[Fe]S[Fe]1.S2[Fe]S[Fe]2.S3[Fe]S[Fe]3S[Fe]4S[Fe]S4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | S([Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71 |
| SMILES | OpenEye OEToolkits | 2.0.6 | S([Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71 |
