Chemical Descriptors |
|---|
| Type | Program | Version | Descriptor |
|---|
| SMILES | CACTVS | 3.370 | N1|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])OC(=O)[CH]1CO |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(C1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O)O |
| Canonical SMILES | CACTVS | 3.370 | N1|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])OC(=O)[C@@H]1CO |
| Canonical SMILES | OpenEye OEToolkits | 1.7.0 | C([C@H]1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O)O |
| InChI | InChI | 1.02 | InChI=1S/C3H7NO3.3CO.Re/c4-2(1-5)3(6)7;3*1-2;/h2,5H,1,4H2,(H,6,7);;;;/q;;;;+2/p-1/t2-;;;;/m0..../s1 |
| InChIKey | InChI | 1.02 | QKENEJKDFPJRFD-AIDJSRAFSA-M |
