Obsolete: FDC
Summary
| Name: | IRON(III) DICITRATE |
| Synonyms: | DINUCLEAR FERRIC CITRATE |
| Formula: | C12 H22 Fe2 O14 |
| Formal charge: | 0 |
| Formula weight: | 501.985 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.02b | InChI=1/2C6H14O7.2Fe/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;/h2*3-5,7-13H,1-2H2;;/rC12H28Fe2O14/c15-5-1-11-3-7(17)23-14-22-6(16)2-12(10(20)26-14)4-8(18)24-13(21-5,27(11)14,28(12)14)25-9(11)19/h5-10,15-28H,1-4H2/t5-,6+,7-,8-,9?,10+,11+,12-/m1/s1 |
| InChIKey | InChI | 1.02b | BGURZCSVZZTKOB-BNYKURMYBT |
| SMILES_CANONICAL | CACTVS | 3.341 | [O][C@@H]1O|[Fe]23|4|O[C@H]([O])CC5(C[C@H]([O])O|[Fe]|67(|O[C@@H]([O])CC(C1)([C@H]([O])O|6)[OH]27)[OH]35)[C@@H]([O])O|4 |
| SMILES | CACTVS | 3.341 | [O][CH]1O|[Fe]23|4|O[CH]([O])CC5(C[CH]([O])O|[Fe]|67(|O[CH]([O])CC(C1)([CH]([O])O|6)[OH]27)[OH]35)[CH]([O])O|4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C([O@@H][Fe]234[O@H]C(C[C@@]56[OH]2[Fe]7([OH]3[C@]1(CC([O@@H]7)[O])C([O@@H]4)[O])([O@H]C(C5)[O])[O@H]C6[O])[O])[O] |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C([OH][Fe]234[OH]C(CC56[OH]2[Fe]7([OH]3C1(CC([OH]7)[O])C([OH]4)[O])([OH]C(C5)[O])[OH]C6[O])[O])[O] |
