REI
Tricarbonyl (aqua) (imidazole) rhenium(I)
| Created: | 2011-02-03 |
| Last modified: | 2011-02-03 |
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Chemical Details | |
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| Formal Charge | 1 |
| Atom Count | 19 |
| Chiral Atom Count | 0 |
| Bond Count | 19 |
| Aromatic Bond Count | 5 |
Chemical Component Summary | |
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| Name | Tricarbonyl (aqua) (imidazole) rhenium(I) |
| Systematic Name (OpenEye OEToolkits) | 1H-imidazol-3-yl-$l^{3}-oxidanyl-tris($l^{3}-oxidanylidynemethyl)rhenium(1+) |
| Formula | C6 H6 N2 O4 Re |
| Molecular Weight | 356.33 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.370 | O|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])|n1c[nH]cc1 |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1=C[N](=CN1)[Re+](C#O)(C#O)(C#O)[OH2] |
| Canonical SMILES | CACTVS | 3.370 | O|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])|n1c[nH]cc1 |
| Canonical SMILES | OpenEye OEToolkits | 1.7.0 | C1=C[N](=CN1)[Re+](C#O)(C#O)(C#O)[OH2] |
| 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 |
