9QB
Summary
| Name: | chloranyl-bis(oxidaniumyl)-tris(oxidaniumylidynemethyl)ruthenium |
| Formula: | C3 H4 Cl O5 Ru |
| Formal charge: | 5 |
| Formula weight: | 256.584 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | chloranyl-bis(oxidaniumyl)-tris(oxidaniumylidynemethyl)ruthenium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/3CO.ClH.2H2O.Ru/c3*1-2;;;;/h;;;1H;2*1H2;/q3*+1;;;;+3/p-1 |
| InChIKey | InChI | 1.03 | DTTSLSCOLQLXGC-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | [OH2+][Ru]([OH2+])(Cl)(C#[O+])(C#[O+])C#[O+] |
| SMILES | CACTVS | 3.385 | [OH2+][Ru]([OH2+])(Cl)(C#[O+])(C#[O+])C#[O+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(#[O+])[Ru](C#[O+])(C#[O+])([OH2+])([OH2+])Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(#[O+])[Ru](C#[O+])(C#[O+])([OH2+])([OH2+])Cl |
