4WV
Summary
| Name: | bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)-mu-(oxydimethanethiolate-1kappaS:2kappaS)diiron(2+) |
| Synonyms: | oxodithiolato-bridged [2Fe2S] cluster |
| Formula: | C7 H4 Fe2 N2 O4 S2 |
| Formal charge: | 2 |
| Formula weight: | 355.938 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/C2H4OS2.2CN.3CO.2Fe/c4-1-3-2-5;5*1-2;;/h1-2H2;;;;;;;/q;;;;2*+1;; |
| InChIKey | InChI | 1.03 | TZKTVWBTVZTYNZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1[Fe]|2(S|3COCS|2[Fe]1|3(C#N)C#[O+])(C#N)C#[O+] |
| SMILES | CACTVS | 3.385 | O=C1[Fe]|2(S|3COCS|2[Fe]1|3(C#N)C#[O+])(C#N)C#[O+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1OC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1OC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] |
