ICS
Summary
| Name: | iron-sulfur-molybdenum cluster with interstitial carbon |
| Formula: | C Fe7 Mo S9 |
| Formal charge: | 0 |
| Formula weight: | 787.451 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.9S |
| InChIKey | InChI | 1.03 | DDQFAOMIVKLFON-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | S1|2[Fe]|3S4|[Fe]15S[Fe]67S|8[Mo]9|S%10[Fe]%11|8S[Fe]%12|2S|3[Fe]4%13S[Fe]%10(|S69)[C]57%11%12%13 |
| SMILES | CACTVS | 3.370 | S1|2[Fe]|3S4|[Fe]15S[Fe]67S|8[Mo]9|S%10[Fe]%11|8S[Fe]%12|2S|3[Fe]4%13S[Fe]%10(|S69)[C]57%11%12%13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12 |
| SMILES | OpenEye OEToolkits | 1.7.2 | C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12 |
