Chem
J-GLOBAL ID：201407052818030495   Nikkaji number：J3.296.140A

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

3,3′,5,5′-テトラキス(4-ヘプチ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： C68H78O4S2
Molecular formula furigana： C68-H78-O4-S2
Molecular weight： 1023.490
InChI： InChI=1S/C68H78O4S2/c1-5-9-13-17-21-49-69-61-39-27-55(28-40-61)25-37-59-53-65(47-35-57-31-43-63(44-32-57)71-51-23-19-15-11-7-3)73-67(59)68-60(38-26-56-29-41-62(42-30-56)70-50-22-18-14-10-6-2)54-66(74-68)48-36-58-33-45-64(46-34-58)72-52-24-20-16-12-8-4/h27-34,39-46,53-54H,5-24,49-52H2,1-4H3
InChI key： AAEBBQFTJRUKSA-UHFFFAOYSA-N
SMILES： CCCCCCCOc1ccc(cc1)C#Cc1cc(C#Cc2ccc(OCCCCCCC)cc2)c(s1)c1sc(cc1C#Cc1ccc(OCCCCCCC)cc1)C#Cc1ccc(OCCCCCCC)cc1
Systematic name  (4)：
  • 3,3′,5,5′-テトラキス(4-ヘプチ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-(ヘプチルオキシ)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-(ヘプチルオキシ)フェニル]エチニル})-2,2'-ビチオフェン
  • 3,3',5,5'-tetrakis({2-[4-(heptyloxy)phenyl]ethynyl})-2,2'-bithiophene
Other name (2)：
  • 3,3′,5,5′-Tetrakis(4-heptyloxyphenylethynyl)-2,2′-bithiophene
  • 3,3′,5,5′-Tetrakis[4-(heptyloxy)phenylethynyl]-2,2′-bithiophene
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