4WW
Summary
| Name: | bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)[mu-propane-1,3-bis(thiolate)-1kappa~2~S~1~,S~3~:2kappa~2~S~1~,S~3~] diiron(2+) |
| Synonyms: | propane-dithiolato-bridged [2Fe2S] cluster |
| Formula: | C8 H6 Fe2 N2 O3 S2 |
| Formal charge: | 2 |
| Formula weight: | 353.965 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/C3H6S2.2CN.3CO.2Fe/c4-2-1-3-5;5*1-2;;/h1-3H2;;;;;;;/q;;;;2*+1;; |
| InChIKey | InChI | 1.03 | POEKPSQXPZCVMK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1[Fe]|2(S|3CCCS|2[Fe]1|3(C#N)C#[O+])(C#N)C#[O+] |
| SMILES | CACTVS | 3.385 | O=C1[Fe]|2(S|3CCCS|2[Fe]1|3(C#N)C#[O+])(C#N)C#[O+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1C[S]2[Fe]3(C(=O)[Fe]2([S]3C1)(C#N)C#[O+])(C#N)C#[O+] |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C[S]2[Fe]3(C(=O)[Fe]2([S]3C1)(C#N)C#[O+])(C#N)C#[O+] |
