Chem
J-GLOBAL ID：201707009239138306   Nikkaji number：J3.551.041I

1,4-Bis(2-octyldodecyloxy)-2-[(pentafluorophenyl)ethynyl]-5-[(trimethylsilyl)ethynyl]benzene

1,4-ビス(2-オクチルドデシルオキシ)-2-[(ペンタフルオロフェニル)エチニル]-5-[(トリメチルシリル)エチニル]ベンゼン
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： C59H93F5O2Si
Molecular formula furigana： C59-H93-F5-O2-SI
Molecular weight： 957.468
InChI： InChI=1S/C59H93F5O2Si/c1-8-12-16-20-24-26-30-34-38-48(36-32-28-22-18-14-10-3)46-65-53-45-51(42-43-67(5,6)7)54(44-50(53)40-41-52-55(60)57(62)59(64)58(63)56(52)61)66-47-49(37-33-29-23-19-15-11-4)39-35-31-27-25-21-17-13-9-2/h44-45,48-49H,8-39,46-47H2,1-7H3
InChI key： DMVKRRHYJXIBPI-UHFFFAOYSA-N
SMILES： CCCCCCCCCCC(CCCCCCCC)COc1cc(C#C[Si](C)(C)C)c(OCC(CCCCCCCC)CCCCCCCCCC)cc1C#Cc1c(F)c(F)c(F)c(F)c1F
Systematic name  (3)：
  • 1,4-ビス(2-オクチルドデシルオキシ)-2-[(ペンタフルオロフェニル)エチニル]-5-[(トリメチルシリル)エチニル]ベンゼン
  • (2-{2,5-ビス[(2-オクチルドデシル)オキシ]-4-[2-(2,3,4,5,6-ペンタフルオロフェニル)エチニル]フェニル}エチニル)トリメチルシラン
  • (2-{2,5-bis[(2-octyldodecyl)oxy]-4-[2-(2,3,4,5,6-pentafluorophenyl)ethynyl]phenyl}ethynyl)trimethylsilane
Other name (1)：
  • 1,4-Bis(2-octyldodecyloxy)-2-[(pentafluorophenyl)ethynyl]-5-[(trimethylsilyl)ethynyl]benzene
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