7GE
Summary
Name: | pentakis(chloranyl)-(1~{H}-indazol-2-ium-2-yl)ruthenium(1-) |
Formula: | C7 H6 Cl5 N2 Ru |
Formal charge: | 0 |
Formula weight: | 396.471 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | pentakis(chloranyl)-(1~{H}-indazol-2-ium-2-yl)ruthenium(1-) |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C7H6N2.5ClH.Ru/c1-2-4-7-6(3-1)5-8-9-7;;;;;;/h1-5H,(H,8,9);5*1H;/q;;;;;;+5/p-5 |
InChIKey | InChI | 1.03 | BDILZFSGPXXJCX-UHFFFAOYSA-I |
SMILES_CANONICAL | CACTVS | 3.385 | Cl[Ru-](Cl)(Cl)(Cl)(Cl)[n+]1[nH]c2ccccc2c1 |
SMILES | CACTVS | 3.385 | Cl[Ru-](Cl)(Cl)(Cl)(Cl)[n+]1[nH]c2ccccc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c[n+]([nH]2)[Ru-](Cl)(Cl)(Cl)(Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c[n+]([nH]2)[Ru-](Cl)(Cl)(Cl)(Cl)Cl |