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 |