| PDB CCD ID: | 4WW |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C8 H6 Fe2 N2 O3 S2 |
| InChI: | InChI=1S/C3H6S2.2CN.3CO.2Fe/c4-2-1-3-5;5*1-2;;/h1-3H2;;;;;;;/q;;;;2*+1;; |
| InChIKey: | POEKPSQXPZCVMK-UHFFFAOYSA-N |
| SMILES: | | Software | 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+] | | CACTVS 3.385 | O=C1[Fe]|2(S|3CCCS|2[Fe]1|3(C#N)C#[O+])(C#N)C#[O+] |
|
| 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+);
propane-dithiolato-bridged [2Fe2S] cluster |
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