YMQ
Summary
| Name: | 9,11-bis(4-methoxyphenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane |
| Formula: | C19 H24 N2 O6 Ru2 |
| Formal charge: | 0 |
| Formula weight: | 578.544 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 9,11-bis(4-methoxyphenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H16N2O2.2C2H4O2.2Ru/c1-18-14-7-3-12(4-8-14)16-11-17-13-5-9-15(19-2)10-6-13;2*1-2(3)4;;/h3-10H,11H2,1-2H3;2*2H,1H3;;/q3*-2;2*+3 |
| InChIKey | InChI | 1.06 | ILDPKHMKTATIQB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)N2CN(c3ccc(OC)cc3)[Ru]45O[C@@H](C)O[Ru]24O[C@@H](C)O5 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)N2CN(c3ccc(OC)cc3)[Ru]45O[CH](C)O[Ru]24O[CH](C)O5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1O[Ru]23N(CN([Ru]2(O1)OC(O3)C)c4ccc(cc4)OC)c5ccc(cc5)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1O[Ru]23N(CN([Ru]2(O1)OC(O3)C)c4ccc(cc4)OC)c5ccc(cc5)OC |
