CNF
Summary
| Name: | OXO-IRON CLUSTER 3 |
| Formula: | Fe3 H8 O12 |
| Formal charge: | null |
| Formula weight: | 367.591 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 1,1,1,3,3,3,5,5-octakis(oxidanyl)-2,4,6$l^{3},7-tetraoxa-1$l^{6},3$l^{6},5$l^{5}-triferratricyclo[3.1.1.0^{3,6}]heptane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/3Fe.8H2O.4O/h;;;8*1H2;;;;/q+2;2*+3;;;;;;;;;;;;/p-8 |
| InChIKey | InChI | 1.06 | PYWXFZIPMZFRFQ-UHFFFAOYSA-F |
| SMILES_CANONICAL | CACTVS | 3.385 | O[Fe]1(O)(O)O[Fe]2(O)(O)O[Fe](O)(O)(O)(O1)O2 |
| SMILES | CACTVS | 3.385 | O[Fe]1(O)(O)O[Fe]2(O)(O)O[Fe](O)(O)(O)(O1)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | O[Fe]12(O[Fe]3(O1[Fe](O2)(O3)(O)(O)O)(O)(O)O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | O[Fe]12(O[Fe]3(O1[Fe](O2)(O3)(O)(O)O)(O)(O)O)O |
