RRE
Summary
| Name: | fac-tricarbonyl-triaqua rhenium(I) |
| Formula: | C3 H6 O6 Re |
| Formal charge: | null |
| Formula weight: | 324.283 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (OC-6-22)-triaquatris(carbonyl-kappaC)rhenium(4+) |
| OpenEye OEToolkits | 3.1.0.0 | tris($l^{3}-oxidanyl)-tris(oxidaniumylidynemethyl)rhenium(1+) |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | [O+]#C[Re+]([OH2])([OH2])([OH2])(C#[O+])C#[O+] |
| InChI | InChI | 1.06 | InChI=1S/3CO.3H2O.Re/c3*1-2;;;;/h;;;3*1H2;/q3*+1;;;;+1 |
| InChIKey | InChI | 1.06 | ACLRBVSPDNXGBV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O.O.O.[O+]#C[Re+](C#[O+])C#[O+] |
| SMILES | CACTVS | 3.385 | O.O.O.[O+]#C[Re+](C#[O+])C#[O+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(#[O+])[Re+](C#[O+])(C#[O+])([OH2])([OH2])[OH2] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(#[O+])[Re+](C#[O+])(C#[O+])([OH2])([OH2])[OH2] |
