REI
Summary
| Name: | Tricarbonyl (aqua) (imidazole) rhenium(I) |
| Formula: | C6 H6 N2 O4 Re |
| Formal charge: | 1 |
| Formula weight: | 356.33 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.0 | 1H-imidazol-3-yl-$l^{3}-oxidanyl-tris($l^{3}-oxidanylidynemethyl)rhenium(1+) |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.02 | InChI=1S/C3H4N2.3CO.H2O.Re/c1-2-5-3-4-1;3*1-2;;/h1-3H,(H,4,5);;;;1H2;/q;;;;;+1 |
| InChIKey | InChI | 1.02 | KPOHHEXTCRHHSE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])|n1c[nH]cc1 |
| SMILES | CACTVS | 3.370 | O|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])|n1c[nH]cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1=C[N](=CN1)[Re+](C#O)(C#O)(C#O)[OH2] |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1=C[N](=CN1)[Re+](C#O)(C#O)(C#O)[OH2] |
