WA4
概要
| 表記: | 5,7-bis[(trifluoromethyl)sulfanyl]quinolin-8-ol |
| 組成式: | C11 H5 F6 N O S2 |
| 電荷: | 0 |
| 化学式量: | 345.284 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 5,7-bis[(trifluoromethyl)sulfanyl]quinolin-8-ol |
| OpenEye OEToolkits | 2.0.7 | 5,7-bis(trifluoromethylsulfanyl)quinolin-8-ol |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | FC(F)(F)Sc1cc(SC(F)(F)F)c2cccnc2c1O |
| InChI | InChI | 1.06 | InChI=1S/C11H5F6NOS2/c12-10(13,14)20-6-4-7(21-11(15,16)17)9(19)8-5(6)2-1-3-18-8/h1-4,19H |
| InChIKey | InChI | 1.06 | LXUZVSQMUCQOSQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1c(SC(F)(F)F)cc(SC(F)(F)F)c2cccnc12 |
| SMILES | CACTVS | 3.385 | Oc1c(SC(F)(F)F)cc(SC(F)(F)F)c2cccnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc(c(c2nc1)O)SC(F)(F)F)SC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc(c(c2nc1)O)SC(F)(F)F)SC(F)(F)F |
