CN1
Summary
| Name: | OXO-IRON CLUSTER 2 |
| 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 | 2-$l^{1}-oxidanyl-2,2,4,4,4,6,6,6-octakis(oxidanyl)-1,3,5-trioxa-2$l^{5},4$l^{5},6$l^{5}-triferracyclohexane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/3Fe.9H2O.3O/h;;;9*1H2;;;/q3*+3;;;;;;;;;;;;/p-9 |
| InChIKey | InChI | 1.06 | UHAIIGCMEOEWPG-UHFFFAOYSA-E |
| SMILES_CANONICAL | CACTVS | 3.385 | O.O[Fe]1(O)O[Fe](O)(O)(O)O[Fe](O)(O)(O)O1 |
| SMILES | CACTVS | 3.385 | O.O[Fe]1(O)O[Fe](O)(O)(O)O[Fe](O)(O)(O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | O[Fe]1(O[Fe](O[Fe](O1)(O)(O)[O])(O)(O)O)(O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | O[Fe]1(O[Fe](O[Fe](O1)(O)(O)[O])(O)(O)O)(O)O |
