Chem
J-GLOBAL ID：201407078845649072   Nikkaji number：J3.305.999J

3,3′,5,5′-Tetrakis(4-nonyloxyphenylethynyl)-2,2′-bithiophene

3,3′,5,5′-テトラキス(4-ノニルオキシフェニルエチニル)-2,2′-ビチオフェン
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： C76H94O4S2
Molecular formula furigana： C76-H94-O4-S2
Molecular weight： 1135.700
InChI： InChI=1S/C76H94O4S2/c1-5-9-13-17-21-25-29-57-77-69-47-35-63(36-48-69)33-45-67-61-73(55-43-65-39-51-71(52-40-65)79-59-31-27-23-19-15-11-7-3)81-75(67)76-68(46-34-64-37-49-70(50-38-64)78-58-30-26-22-18-14-10-6-2)62-74(82-76)56-44-66-41-53-72(54-42-66)80-60-32-28-24-20-16-12-8-4/h35-42,47-54,61-62H,5-32,57-60H2,1-4H3
InChI key： GVUFVZRXWRZLTE-UHFFFAOYSA-N
SMILES： CCCCCCCCCOc1ccc(cc1)C#Cc1cc(C#Cc2ccc(OCCCCCCCCC)cc2)c(s1)c1sc(cc1C#Cc1ccc(OCCCCCCCCC)cc1)C#Cc1ccc(OCCCCCCCCC)cc1
Systematic name  (4)：
  • 3,3′,5,5′-テトラキス[4-(ノニルオキシ)フェニルエチニル]-2,2′-ビチオフェン
  • 3,3′,5,5′-テトラキス(4-ノニルオキシフェニルエチニル)-2,2′-ビチオフェン
  • 3,3',5,5'-テトラキス({2-[4-(ノニルオキシ)フェニル]エチニル})-2,2'-ビチオフェン
  • 3,3',5,5'-tetrakis({2-[4-(nonyloxy)phenyl]ethynyl})-2,2'-bithiophene
Other name (2)：
  • 3,3′,5,5′-Tetrakis[4-(nonyloxy)phenylethynyl]-2,2′-bithiophene
  • 3,3′,5,5′-Tetrakis(4-nonyloxyphenylethynyl)-2,2′-bithiophene
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