Chem
J-GLOBAL ID:200907099889557768   Nikkaji number:J1.803.231G

4-[(1S,2R)-1-Methyl-2-[4-[1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl]phenyl]-2-[3,4-bis(difluoromethoxy)phenyl]ethyl]pyridine 1-oxide

4-[(1S,2R)-1-メチル-2-[4-[1-ヒドロキシ-1-(トリフルオロメチル)-2,2,2-トリフルオロエチル]フェニル]-2-[3,4-ビス(ジフルオロメトキシ)フェニル]エチル]ピリジン1-オキシド
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C25H19F10[N+]O3[O-]
Molecular formula furigana: C25-H19-F10-N-O4
Molecular weight: 587.414
InChI: InChI=1S/C25H19F10NO4/c1-13(14-8-10-36(38)11-9-14)20(16-4-7-18(39-21(26)27)19(12-16)40-22(28)29)15-2-5-17(6-3-15)23(37,24(30,31)32)25(33,34)35/h2-13,20-22,37H,1H3/t13-,20-/m1/s1
InChI key: ODBDVZDFRNCOCN-ZUOKHONESA-N
SMILES: C[C@@H]([C@H](c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccc(OC(F)F)c(OC(F)F)c1)c1cc[n+]([O-])cc1
Systematic name  (3):
  • 4-[(1S,2R)-1-メチル-2-[4-[1-ヒドロキシ-1-(トリフルオロメチル)-2,2,2-トリフルオロエチル]フェニル]-2-[3,4-ビス(ジフルオロメトキシ)フェニル]エチル]ピリジン1-オキシド
  • 4-[(1R,2S)-1-[3,4-ビス(ジフルオロメトキシ)フェニル]-1-[4-(1,1,1,3,3,3-ヘキサフルオロ-2-ヒドロキシプロパン-2-イル)フェニル]プロパン-2-イル]ピリジン-1-イウム-1-オラート
  • 4-[(1R,2S)-1-[3,4-bis(difluoromethoxy)phenyl]-1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-yl]pyridin-1-ium-1-olate
Other name (1):
  • 4-[(1S,2R)-1-Methyl-2-[4-[1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl]phenyl]-2-[3,4-bis(difluoromethoxy)phenyl]ethyl]pyridine 1-oxide
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