Chem
J-GLOBAL ID：200907083735587121   Nikkaji number：J965.096B

1,4-Bis[[3-fluoro-4-(hexyloxy)phenyl]ethynyl]-2-undecylbenzene

1,4-ビス[[3-フルオロ-4-(ヘキシルオキシ)フェニル]エチニル]-2-ウンデシルベンゼン
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： C45H58F2O2
Molecular formula furigana： C45-H58-F2-O2
Molecular weight： 668.954
InChI： InChI=1S/C45H58F2O2/c1-4-7-10-13-14-15-16-17-18-21-41-34-37(22-23-38-26-30-44(42(46)35-38)48-32-19-11-8-5-2)24-28-40(41)29-25-39-27-31-45(43(47)36-39)49-33-20-12-9-6-3/h24,26-28,30-31,34-36H,4-21,32-33H2,1-3H3
InChI key： GVCFUPFCILCQDV-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCc1cc(ccc1C#Cc1ccc(OCCCCCC)c(F)c1)C#Cc1ccc(OCCCCCC)c(F)c1
Systematic name  (3)：
  • 1,4-ビス[[3-フルオロ-4-(ヘキシルオキシ)フェニル]エチニル]-2-ウンデシルベンゼン
  • 1,4-ビス({2-[3-フルオロ-4-(ヘキシルオキシ)フェニル]エチニル})-2-ウンデシルベンゼン
  • 1,4-bis({2-[3-fluoro-4-(hexyloxy)phenyl]ethynyl})-2-undecylbenzene
Other name (1)：
  • 1,4-Bis[[3-fluoro-4-(hexyloxy)phenyl]ethynyl]-2-undecylbenzene
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