CNB
Summary
| Name: | OXO-IRON CLUSTER 1 |
| Formula: | Fe3 H8 O11 |
| Formal charge: | 0 |
| Formula weight: | 351.592 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.5.0 | 2,2,2,4,4,4,6,6-octahydroxy-1,3,5-trioxa-2$l^{5},4$l^{5},6$l^{4}-triferracyclohexane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.341 | O[Fe@@]1(O)O[Fe](O)(O)(O)O[Fe](O)(O)(O)O1 |
| SMILES | CACTVS | 3.341 | O[Fe]1(O)O[Fe](O)(O)(O)O[Fe](O)(O)(O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | O[Fe]1(O[Fe](O[Fe](O1)(O)(O)O)(O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | O[Fe]1(O[Fe](O[Fe](O1)(O)(O)O)(O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/3Fe.8H2O.3O/h;;;8*1H2;;;/q+2;2*+3;;;;;;;;;;;/p-8 |
| InChIKey | InChI | 1.03 | HGBUJFYYDTXMPV-UHFFFAOYSA-F |
