ZJO
Summary
| Name: | 1-$l^{3}-oxidanyl-2,4,6,8-tetraphenyl-2$l^{4},4,6$l^{4},8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octa-2,6-diene |
| Formula: | C26 H24 N4 O Ru2 |
| Formal charge: | null |
| Formula weight: | 610.635 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | aqua-(mu-{N-[(phenylimino-1kappaN)methyl]benzenaminido-2kappaN})-(mu-{N-[(phenylimino-2kappaN)methyl]benzenaminido-1kappaN})diruthenium(Ru-Ru) |
| OpenEye OEToolkits | 3.1.0.0 | 1-$l^{3}-oxidanyl-2,4,6,8-tetraphenyl-2$l^{4},4,6$l^{4},8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octa-2,6-diene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | [OH2][Ru]12N(C=N(c3ccccc3)[Ru]2N(C=N1c1ccccc1)c1ccccc1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/2C13H11N2.H2O.2Ru/c2*1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;;;/h2*1-11H;1H2;;/q2*-1;;2*+1 |
| InChIKey | InChI | 1.06 | TWFZYRRPDAKMGR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O.[Ru]N(C=Nc1ccccc1)c2ccccc2.[Ru]N(C=Nc3ccccc3)c4ccccc4 |
| SMILES | CACTVS | 3.385 | O.[Ru]N(C=Nc1ccccc1)c2ccccc2.[Ru]N(C=Nc3ccccc3)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)[N]2=CN([Ru]3([Ru]2N(C=[N]3c4ccccc4)c5ccccc5)[OH2])c6ccccc6 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)[N]2=CN([Ru]3([Ru]2N(C=[N]3c4ccccc4)c5ccccc5)[OH2])c6ccccc6 |
