HC1
Summary
| Name: | 2 IRON/2 SULFUR/5 CARBONYL/2 WATER INORGANIC CLUSTER |
| Formula: | C5 H8 Fe2 O7 S2 |
| Formal charge: | 0 |
| Formula weight: | 355.933 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1,3-bis($l^{3}-oxidanyl)-5-oxidanylidene-2,4-dithia-1$l^{7},3$l^{7}-diferratricyclo[1.1.1.0^{1,3}]pentane-1,1,3,3-tetracarbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/4CHO.CO.2Fe.2H2O.2S/c5*1-2;;;;;;/h4*1H;;;;2*1H2;; |
| InChIKey | InChI | 1.06 | DXKOXSKJHMBSFW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O.O.O=C[Fe]12(S[Fe](S1)(C=O)(C=O)C2=O)C=O |
| SMILES | CACTVS | 3.385 | O.O.O=C[Fe]12(S[Fe](S1)(C=O)(C=O)C2=O)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)[OH2] |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)[OH2] |
