Chem
J-GLOBAL ID：200907044067902634   Nikkaji number：J1.952.755G

1-O,1′-O-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-Pentacosafluoropentadecyl)biphenyl-4,4′-diyl]bisglycerol

1-O,1′-O-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-ペンタコサフルオロペンタデシル)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： C33H27F25O6
Molecular formula furigana： C33-H27-F25-O6
Molecular weight： 994.533
InChI： InChI=1S/C33H27F25O6/c34-22(35,9-1-2-17-10-16(5-8-21(17)64-14-19(62)12-60)15-3-6-20(7-4-15)63-13-18(61)11-59)23(36,37)24(38,39)25(40,41)26(42,43)27(44,45)28(46,47)29(48,49)30(50,51)31(52,53)32(54,55)33(56,57)58/h3-8,10,18-19,59-62H,1-2,9,11-14H2
InChI key： COEBRYFJAXTFEG-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)C(F)(F)C(F)(F)F)c1
Systematic name  (3)：
  • 1-O,1′-O-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-ペンタコサフルオロペンタデシル)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'-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-ペンタコサフルオロペンタデシル)-[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'-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoropentadecyl)-[1,1'-biphenyl]-4-yl]oxy}propane-1,2-diol
Other name (1)：
  • 1-O,1′-O-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-Pentacosafluoropentadecyl)biphenyl-4,4′-diyl]bisglycerol
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