ICE
Summary
Name: | iron-sulfur-molybdenum cluster with interstitial carbon |
Formula: | C Fe7 Mo S8 |
Formal charge: | 0 |
Formula weight: | 755.386 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 |
InChIKey | InChI | 1.03 | BJBPMDQXUSSDMI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | S1|2[Fe]|3S4|[Fe]15S[Fe]67S8|[Fe]9S%10|[Mo]8S6|[Fe]%10%11S[Fe@]4%12S|3[Fe]|2[C]579%11%12 |
SMILES | CACTVS | 3.385 | S1|2[Fe]|3S4|[Fe]15S[Fe]67S8|[Fe]9S%10|[Mo]8S6|[Fe]%10%11S[Fe]4%12S|3[Fe]|2[C]579%11%12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C12345[Fe]6[S]7[Fe]18S[Fe]29[S]1[Fe]3[S]2[Fe]4([S]9[Mo]12)S[Fe]51[S]6[Fe]7[S]81 |
SMILES | OpenEye OEToolkits | 1.7.6 | C12345[Fe]6[S]7[Fe]18S[Fe]29[S]1[Fe]3[S]2[Fe]4([S]9[Mo]12)S[Fe]51[S]6[Fe]7[S]81 |