Chem
J-GLOBAL ID：200907090840093653   Nikkaji number：J1.807.161D

3,4,5-Tris[4-(heptadecafluorooctyl)butoxy]benzoic acid 4-(1-pyrenyl)butyl ester

3,4,5-トリス[4-(ヘプタデカフルオロオクチル)ブトキシ]安息香酸4-(1-ピレニル)ブチル
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： C63H43F51O5
Molecular formula furigana： C63-H43-F51-O5
Molecular weight： 1848.951
InChI： InChI=1S/C63H43F51O5/c64-40(65,43(70,71)46(76,77)49(82,83)52(88,89)55(94,95)58(100,101)61(106,107)108)19-2-6-22-116-34-26-32(39(115)119-25-5-1-10-28-13-14-31-16-15-29-11-9-12-30-17-18-33(28)37(31)36(29)30)27-35(117-23-7-3-20-41(66,67)44(72,73)47(78,79)50(84,85)53(90,91)56(96,97)59(102,103)62(109,110)111)38(34)118-24-8-4-21-42(68,69)45(74,75)48(80,81)51(86,87)54(92,93)57(98,99)60(104,105)63(112,113)114/h9,11-18,26-27H,1-8,10,19-25H2
InChI key： VETVREMTEYGDCU-UHFFFAOYSA-N
SMILES： FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCOc1cc(cc(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCCCCc1ccc2ccc3cccc4ccc1c2c34
Systematic name  (6)：
  • 3,4,5-トリス(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-ヘプタデカフルオロドデシルオキシ)安息香酸4-(1-ピレニル)ブチル
  • 4-(1-ピレニル)-1-ブタノール3,4,5-トリス(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-ヘプタデカフルオロドデシルオキシ)ベンゾアート
  • 3,4,5-トリス[(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-ヘプタデカフルオロドデシル)オキシ]安息香酸4-(1-ピレニル)ブチル
  • 3,4,5-トリス[4-(ヘプタデカフルオロオクチル)ブトキシ]安息香酸4-(1-ピレニル)ブチル
  • 4-(ピレン-1-イル)ブチル 3,4,5-トリス[(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-ヘプタデカフルオロドデシル)オキシ]ベンゾアート
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Other name (4)：
  • 3,4,5-Tris(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyloxy)benzoic acid 4-(1-pyrenyl)butyl ester
  • 4-(1-Pyrenyl)-1-butanol 3,4,5-tris(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyloxy)benzoate
  • 3,4,5-Tris[(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)oxy]benzoic acid 4-(1-pyrenyl)butyl ester
  • 3,4,5-Tris[4-(heptadecafluorooctyl)butoxy]benzoic acid 4-(1-pyrenyl)butyl ester
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