CNF
Summary
| Name: | OXO-IRON CLUSTER 3 |
| 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})-2,2,2,2,4,4,6,6,6-nonakis(oxidanyl)-1$l^{3},3,5-trioxa-2$l^{6},4$l^{5},6$l^{5}-triferrabicyclo[2.2.0]hexane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/3Fe.9H2O.3O/h;;;9*1H2;;;/q+2;+3;+4;;;;;;;;;;;;/p-9 |
| InChIKey | InChI | 1.06 | IYMKJKNVMFFAIB-UHFFFAOYSA-E |
| SMILES_CANONICAL | CACTVS | 3.385 | O[Fe](O)(O)O[Fe]1(O)(O)O[Fe](O)(O)(O)(O)O1 |
| SMILES | CACTVS | 3.385 | O[Fe](O)(O)O[Fe]1(O)(O)O[Fe](O)(O)(O)(O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | O[Fe]1(O[Fe]2([O@@]1[Fe](O2)(O)(O)(O)O)(O)O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | O[Fe]1(O[Fe]2(O1[Fe](O2)(O)(O)(O)O)(O)O)(O)O |
