9SQ
Summary
| Name: | dicarbonyl[bis(cyanide-kappaC)]-mu-(iminodimethaneselenato- 1kappaS:2kappaS)-mu-(oxomethylidene)diiron(2+) |
| Formula: | C7 H5 Fe2 N3 O3 Se2 |
| Formal charge: | 2 |
| Formula weight: | 448.743 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 | 1.03 | InChI=1S/C2H7NSe2.2CN.3CO.2Fe/c4-1-3-2-5;5*1-2;;/h3-5H,1-2H2;;;;;;;/q;;;;2*+1;; |
| InChIKey | InChI | 1.03 | PHBGCQLNCRESHS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1[Fe]([Se]CNC[Se][Fe]1(C#N)C#[O+])(C#N)C#[O+] |
| SMILES | CACTVS | 3.385 | O=C1[Fe]([Se]CNC[Se][Fe]1(C#N)C#[O+])(C#N)C#[O+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1NC[Se]2[Fe]3([Se]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1NC[Se]2[Fe]3([Se]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] |
