XCC
Summary
| Name: | FE(4)-NI(1)-S(4) CLUSTER |
| Synonyms: | C CLUSTER |
| Formula: | Fe4 Ni S4 |
| Formal charge: | 0 |
| Formula weight: | 410.333 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 1$l^{3},3$l^{3},5$l^{3},7$l^{3}-tetrathia-4$l^{2}-nickela-2$l^{3},6$l^{3},8$l^{3}-triferratetracyclo[4.2.0.0^{2,5}.0^{3,8}]octan-7-yliron |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/4Fe.Ni.4S |
| InChIKey | InChI | 1.06 | QGLWBXDZIHZONR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [Fe]S[Fe].S1[Fe]S[Ni]S[Fe]1 |
| SMILES | CACTVS | 3.385 | [Fe]S[Fe].S1[Fe]S[Ni]S[Fe]1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | [S]1([Fe]2[S]3[Fe]1[S]4[Fe]3[S]2[Ni]4)[Fe] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | [S]1([Fe]2[S]3[Fe]1[S]4[Fe]3[S]2[Ni]4)[Fe] |
