TZ6
概要
| 表記: | 9,11-bis(4-fluorophenyl)-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 |
| 組成式: | C17 H18 F2 N2 O4 Ru2 |
| 電荷: | 0 |
| 化学式量: | 554.473 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | 9,11-bis(4-fluorophenyl)-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 |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C13H10F2N2.2C2H4O2.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13;2*1-2(3)4;;/h1-8H,9H2;2*2H,1H3;;/q3*-2;2*+3 |
| InChIKey | InChI | 1.06 | NOQXZAUOMFZMHS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1O[Ru]23OC(C)O[Ru]2(O1)N(CN3c4ccc(F)cc4)c5ccc(F)cc5 |
| SMILES | CACTVS | 3.385 | CC1O[Ru]23OC(C)O[Ru]2(O1)N(CN3c4ccc(F)cc4)c5ccc(F)cc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1O[Ru]23N(CN([Ru]2(O1)OC(O3)C)c4ccc(cc4)F)c5ccc(cc5)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1O[Ru]23N(CN([Ru]2(O1)OC(O3)C)c4ccc(cc4)F)c5ccc(cc5)F |
