CFN
Summary
| Name: | FE(7)-MO-S(9)-N CLUSTER |
| Formula: | Fe7 Mo N S9 |
| Formal charge: | 0 |
| Formula weight: | 789.447 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/7Fe.Mo.N.9S |
| InChIKey | InChI | 1.03 | OSSJGSCTDHHOOW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [N-5]|1|2|3|4|5|[Fe]6|7S[Fe]|8|1S9|[Fe]%10|2S[Fe]%11|3|S6[Mo]%12|S%11[Fe]|4(S[Fe]%13|5|S%10[Fe]9S|8%13)S|7%12 |
| SMILES | CACTVS | 3.385 | [N-5]|1|2|3|4|5|[Fe]6|7S[Fe]|8|1S9|[Fe]%10|2S[Fe]%11|3|S6[Mo]%12|S%11[Fe]|4(S[Fe]%13|5|S%10[Fe]9S|8%13)S|7%12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | N12345[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 | 1.7.6 | N12345[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 |
