CN1
Summary
| Name: | OXO-IRON CLUSTER 2 |
| Formula: | Fe3 H9 O12 |
| Formal charge: | 0 |
| Formula weight: | 368.599 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(1~{R})-3,3-bis(oxidanyl)-1-[tris(oxidanyl)ferrio]-1$l^{3},2-dioxa-3$l^{5}-ferracycloprop-3-yl]oxy-tetrakis(oxidanyl)iron |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/3Fe.O2.9H2O.O/c;;;1-2;;;;;;;;;;/h;;;;9*1H2;/q2*+3;+4;-1;;;;;;;;;;/p-9 |
| InChIKey | InChI | 1.06 | SUDSRVCDIHGFGD-UHFFFAOYSA-E |
| SMILES_CANONICAL | CACTVS | 3.385 | O[Fe](O)O.O[Fe](O)(O)(O)O[Fe]1(O)(O)OO1 |
| SMILES | CACTVS | 3.385 | O[Fe](O)O.O[Fe](O)(O)(O)O[Fe]1(O)(O)OO1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | O[Fe](O)(O)[O@]1O[Fe]1(O)(O)O[Fe](O)(O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | O[Fe](O)(O)O1O[Fe]1(O)(O)O[Fe](O)(O)(O)O |
