A1IHW
Summary
| Name: | 4-[11-(4-cyanophenyl)-1,5-bis($l^{1}-oxidanyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{5},5$l^{5}-diruthenatricyclo[3.3.3.0^{1,5}]undecan-9-yl]benzenecarbonitrile |
| Formula: | C19 H20 N4 O6 Ru2 |
| Formal charge: | 0 |
| Formula weight: | 602.525 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[11-(4-cyanophenyl)-3,7-dimethyl-1,5-bis(oxidanyl)-2,4,6,8-tetraoxa-9,11-diaza-1$l^{5},5$l^{5}-diruthenatricyclo[3.3.3.0^{1,5}]undecan-9-yl]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H10N4.2C2H4O2.2H2O.2Ru/c16-9-12-1-5-14(6-2-12)18-11-19-15-7-3-13(10-17)4-8-15;2*1-2(3)4;;;;/h1-8H,11H2;2*2H,1H3;2*1H2;;/q3*-2;;;2*+4/p-2 |
| InChIKey | InChI | 1.06 | RVPMMJARIZYFTQ-UHFFFAOYSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1O[Ru]2(O)O[C@@H](C)O[Ru](O)(O1)N(CN2c3ccc(cc3)C#N)c4ccc(cc4)C#N |
| SMILES | CACTVS | 3.385 | C[CH]1O[Ru]2(O)O[CH](C)O[Ru](O)(O1)N(CN2c3ccc(cc3)C#N)c4ccc(cc4)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1O[Ru]23(N(CN([Ru]2(O1)(OC(O3)C)O)c4ccc(cc4)C#N)c5ccc(cc5)C#N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1O[Ru]23(N(CN([Ru]2(O1)(OC(O3)C)O)c4ccc(cc4)C#N)c5ccc(cc5)C#N)O |
