HC0
Summary
| Name: | 2 IRON/2 SULFUR/6 CARBONYL/1 WATER INORGANIC CLUSTER |
| Formula: | C6 H7 Fe2 O7 S2 |
| Formal charge: | 0 |
| Formula weight: | 366.936 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-$l^{3}-oxidanyl-5-oxidanylidene-2,4-dithia-1$l^{7},3$l^{7}-diferratricyclo[1.1.1.0^{1,3}]pentane-1,1,1,3,3-pentacarbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/5CHO.CO.2Fe.H2O.2S/c6*1-2;;;;;/h5*1H;;;;1H2;; |
| InChIKey | InChI | 1.06 | RBPZXAJPLJEKDC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O.O=C[Fe]12(S[Fe](S1)(C=O)(C=O)(C=O)C2=O)C=O |
| SMILES | CACTVS | 3.385 | O.O=C[Fe]12(S[Fe](S1)(C=O)(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)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)C=O |
