Chem
J-GLOBAL ID：200907042752387006   Nikkaji number：J1.952.753K

1-O,1′-O-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Henicosafluorotridecyl)biphenyl-4,4′-diyl]bisglycerol

1-O,1′-O-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-ヘニコサフルオロトリデシル)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： C31H27F21O6
Molecular formula furigana： C31-H27-F21-O6
Molecular weight： 894.517
InChI： InChI=1S/C31H27F21O6/c32-22(33,23(34,35)24(36,37)25(38,39)26(40,41)27(42,43)28(44,45)29(46,47)30(48,49)31(50,51)52)9-1-2-17-10-16(5-8-21(17)58-14-19(56)12-54)15-3-6-20(7-4-15)57-13-18(55)11-53/h3-8,10,18-19,53-56H,1-2,9,11-14H2
InChI key： JXKUERZIQRVCPM-UHFFFAOYSA-N
SMILES： OCC(O)COc1ccc(cc1)c1ccc(OCC(O)CO)c(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1
Systematic name  (3)：
  • 1-O,1′-O-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-ヘニコサフルオロトリデシル)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'-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-ヘンイコサフルオロトリデシル)-[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'-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridecyl)-[1,1'-biphenyl]-4-yl]oxy}propane-1,2-diol
Other name (1)：
  • 1-O,1′-O-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Henicosafluorotridecyl)biphenyl-4,4′-diyl]bisglycerol
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