9Q8
Summary
| Name: | tris($l^{3}-oxidanyl)-tris(oxidaniumylidynemethyl)ruthenium |
| Formula: | C3 H6 O6 Ru |
| Formal charge: | null |
| Formula weight: | 239.146 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | triaquatris(carbonyl-kappaC)ruthenium(3+) |
| OpenEye OEToolkits | 3.1.0.0 | tris($l^{3}-oxidanyl)-tris(oxidaniumylidynemethyl)ruthenium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | [O+]#C[Ru]([OH2])([OH2])([OH2])(C#[O+])C#[O+] |
| InChI | InChI | 1.06 | InChI=1S/3CO.3H2O.Ru/c3*1-2;;;;/h;;;3*1H2;/q3*+1;;;; |
| InChIKey | InChI | 1.06 | UHCBCCBXGQEMOY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O.O.O.[O+]#C[Ru](C#[O+])C#[O+] |
| SMILES | CACTVS | 3.385 | O.O.O.[O+]#C[Ru](C#[O+])C#[O+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(#[O+])[Ru](C#[O+])(C#[O+])([OH2])([OH2])[OH2] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(#[O+])[Ru](C#[O+])(C#[O+])([OH2])([OH2])[OH2] |
