Chem
J-GLOBAL ID：200907029948778457   Nikkaji number：J1.841.716B

2α,3β,7α,8β-Tetrakis(4-trifluoromethylbenzyloxy)-5-azoniaspiro[4.4]nonane

2α,3β,7α,8β-テトラキス(4-トリフルオロメチルベンジルオキシ)-5-アゾニアスピロ[4.4]ノナン
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： C40H36F12[N+]O4
Molecular formula furigana： C40-H36-F12-N-O4
Molecular weight： 822.711
InChI： InChI=1S/C40H36F12NO4/c41-37(42,43)29-9-1-25(2-10-29)21-54-33-17-53(18-34(33)55-22-26-3-11-30(12-4-26)38(44,45)46)19-35(56-23-27-5-13-31(14-6-27)39(47,48)49)36(20-53)57-24-28-7-15-32(16-8-28)40(50,51)52/h1-16,33-36H,17-24H2/q+1/t33-,34-,35-,36-/m0/s1
InChI key： OGONHTGETOORTL-ZYADHFCISA-N
SMILES： FC(F)(F)c1ccc(CO[C@H]2C[N+]3(C[C@@H]2OCc2ccc(cc2)C(F)(F)F)C[C@H](OCc2ccc(cc2)C(F)(F)F)[C@H](C3)OCc2ccc(cc2)C(F)(F)F)cc1
Systematic name  (5)：
  • (2S)-2α,3β,7α,8β-テトラキス[4-(トリフルオロメチル)ベンジルオキシ]-5-アゾニアスピロ[4.4]ノナン
  • 2α,3β,7α,8β-テトラキス(4-トリフルオロメチルベンジルオキシ)-5-アゾニアスピロ[4.4]ノナン
  • 3α,3′α,4β,4′β-テトラキス[4-(トリフルオロメチル)ベンジルオキシ]-1,1′-スピロビピロリジニウム
  • (2S,3S,7S,8S)-2,3,7,8-テトラキス({[4-(トリフルオロメチル)フェニル]メトキシ})-5λ5-アザスピロ[4.4]ノナン-5-イリウム
  • (2S,3S,7S,8S)-2,3,7,8-tetrakis({[4-(trifluoromethyl)phenyl]methoxy})-5λ5-azaspiro[4.4]nonan-5-ylium
Other name (3)：
  • (2S)-2α,3β,7α,8β-Tetrakis[4-(trifluoromethyl)benzyloxy]-5-azoniaspiro[4.4]nonane
  • 2α,3β,7α,8β-Tetrakis(4-trifluoromethylbenzyloxy)-5-azoniaspiro[4.4]nonane
  • 3α,3′α,4β,4′β-Tetrakis[4-(trifluoromethyl)benzyloxy]-1,1′-spirobipyrrolidinium
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