ICG
Summary
| Name: | iron-sulfur-molybdenum cluster with interstitial carbon with selenium incorporated |
| Formula: | C Fe7 Mo S8 Se |
| Formal charge: | 0 |
| Formula weight: | 834.346 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/C.7Fe.Mo.8S.Se |
| InChIKey | InChI | 1.03 | FNMFDDWWTZZVEY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | S1[Fe]S[Fe@]23S[Fe]4S[Fe]5[Se][Fe](S2)[C]3456[Fe]1S[Fe]67S[Mo]S7 |
| SMILES | CACTVS | 3.385 | S1[Fe]S[Fe]23S[Fe]4S[Fe]5[Se][Fe](S2)[C]3456[Fe]1S[Fe]67S[Mo]S7 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C12345[Fe@]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)[Se][Fe]52[S]8[Mo]9[S]12 |
| SMILES | OpenEye OEToolkits | 1.9.2 | C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)[Se][Fe]52[S]8[Mo]9[S]12 |
