CUV
Summary
| Name: | Fe(4)-Ni(1)-S(4) cluster, oxidized |
| Synonyms: | C cluster, oxidized |
| Formula: | Fe4 Ni S4 |
| Formal charge: | 0 |
| Formula weight: | 410.333 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1$l^{3},3,5-trithia-2$l^{3},4$l^{3},6$l^{2}-triferrabicyclo[2.2.0]hexan-2-ylsulfanyl(nickelio)iron |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/4Fe.Ni.4S |
| InChIKey | InChI | 1.03 | QGLWBXDZIHZONR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [Ni].[Fe]S[Fe]1S[Fe]S[Fe]S1 |
| SMILES | CACTVS | 3.385 | [Ni].[Fe]S[Fe]1S[Fe]S[Fe]S1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | S1[Fe][S]2[Fe]1S[Fe]2S[Fe][Ni] |
| SMILES | OpenEye OEToolkits | 2.0.6 | S1[Fe][S]2[Fe]1S[Fe]2S[Fe][Ni] |
