Chem
J-GLOBAL ID：200907061467972676   Nikkaji number：J1.952.749B

1-O,1′-O-[3-(Nonafluorobutyl)biphenyl-4,4′-diyl]bisglycerol

1-O,1′-O-[3-(ノナフルオロブチル)ビフェニル-4,4′-ジイル]ビスグリセロール
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： C22H21F9O6
Molecular formula furigana： C22-H21-F9-O6
Molecular weight： 552.390
InChI： InChI=1S/C22H21F9O6/c23-19(24,20(25,26)21(27,28)22(29,30)31)17-7-13(3-6-18(17)37-11-15(35)9-33)12-1-4-16(5-2-12)36-10-14(34)8-32/h1-7,14-15,32-35H,8-11H2
InChI key： POQNGOKCVXPSSY-UHFFFAOYSA-N
SMILES： OCC(O)COc1ccc(cc1)c1ccc(OCC(O)CO)c(c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Systematic name  (3)：
  • 1-O,1′-O-[3-(ノナフルオロブチル)ビフェニル-4,4′-ジイル]ビスグリセロール
  • 3-{[4'-(2,3-ジヒドロキシプロポキシ)-3'-(1,1,2,2,3,3,4,4,4-ノナフルオロブチル)-[1,1'-ビフェニル]-4-イル]オキシ}プロパン-1,2-ジオール
  • 3-{[4'-(2,3-dihydroxypropoxy)-3'-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-[1,1'-biphenyl]-4-yl]oxy}propane-1,2-diol
Other name (1)：
  • 1-O,1′-O-[3-(Nonafluorobutyl)biphenyl-4,4′-diyl]bisglycerol
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