Chem
J-GLOBAL ID:200907039283696000   Nikkaji number:J2.633.838G

1-O,1′-O-[2-[11-(Heptadecafluorooctyl)undecyloxy]-1,3-phenylenebis(1,2-ethynediyl)bis(1,4-phenylene)]bisglycerol

1-O,1′-O-[2-[11-(ヘプタデカフルオロオクチル)ウンデシルオキシ]-1,3-フェニレンビス(1,2-エチンジイル)ビス(1,4-フェニレン)]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: C47H47F17O7
Molecular formula furigana: C47-H47-F17-O7
Molecular weight: 1046.858
InChI: InChI=1S/C47H47F17O7/c48-40(49,41(50,51)42(52,53)43(54,55)44(56,57)45(58,59)46(60,61)47(62,63)64)25-8-6-4-2-1-3-5-7-9-26-69-39-33(19-13-31-15-21-37(22-16-31)70-29-35(67)27-65)11-10-12-34(39)20-14-32-17-23-38(24-18-32)71-30-36(68)28-66/h10-12,15-18,21-24,35-36,65-68H,1-9,25-30H2
InChI key: WGWPKFNGUHUMDO-UHFFFAOYSA-N
SMILES: OCC(O)COc1ccc(cc1)C#Cc1cccc(C#Cc2ccc(OCC(O)CO)cc2)c1OCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Systematic name  (3):
  • 1-O,1′-O-[2-[11-(ヘプタデカフルオロオクチル)ウンデシルオキシ]-1,3-フェニレンビス(1,2-エチンジイル)ビス(1,4-フェニレン)]ビスグリセロール
  • 3-{4-[2-(3-{2-[4-(2,3-ジヒドロキシプロポキシ)フェニル]エチニル}-2-[(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-ヘプタデカフルオロノナデシル)オキシ]フェニル)エチニル]フェノキシ}プロパン-1,2-ジオール
  • 3-{4-[2-(3-{2-[4-(2,3-dihydroxypropoxy)phenyl]ethynyl}-2-[(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)oxy]phenyl)ethynyl]phenoxy}propane-1,2-diol
Other name (1):
  • 1-O,1′-O-[2-[11-(Heptadecafluorooctyl)undecyloxy]-1,3-phenylenebis(1,2-ethynediyl)bis(1,4-phenylene)]bisglycerol
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