ZJK
Summary
| Name: | 1-$l^{3}-oxidanyl-6,8,9,11-tetraphenyl-2$l^{3},4-dioxa-6$l^{4},8,9$l^{4},11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undeca-2,6,9-triene |
| Formula: | C27 H25 N4 O3 Ru2 |
| Formal charge: | null |
| Formula weight: | 655.652 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 1-$l^{3}-oxidanyl-6,8,9,11-tetraphenyl-2$l^{3},4-dioxa-6$l^{4},8,9$l^{4},11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undeca-2,6,9-triene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/2C13H11N2.CH2O2.H2O.2Ru/c2*1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2-1-3;;;/h2*1-11H;1H,(H,2,3);1H2;;/q2*-1;;;+1;+2/p-1 |
| InChIKey | InChI | 1.06 | WBCFQNGWZUEOKP-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | O.[Ru]N(C=Nc1ccccc1)c2ccccc2.O=CO[Ru]N(C=Nc3ccccc3)c4ccccc4 |
| SMILES | CACTVS | 3.385 | O.[Ru]N(C=Nc1ccccc1)c2ccccc2.O=CO[Ru]N(C=Nc3ccccc3)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)[N]2=CN([Ru]34([Ru]2(N(C=[N]3c5ccccc5)c6ccccc6)OC=O4)[OH2])c7ccccc7 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)[N]2=CN([Ru]34([Ru]2(N(C=[N]3c5ccccc5)c6ccccc6)OC=O4)[OH2])c7ccccc7 |
