Chem
J-GLOBAL ID：200907044852115499   Nikkaji number：J1.234.107E

3,3′,3′′,3′′′,3′′′′,3′′′′′-Hexaoctyl-2,5′:2′,5′′:2′′,5′′′:2′′′,5′′′′:2′′′′,5′′′′′-sexithiophene

3,3′,3′′,3′′′,3′′′′,3′′′′′-ヘキサオクチル-2,5′:2′,5′′:2′′,5′′′:2′′′,5′′′′:2′′′′,5′′′′′-セキシチオフェン
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： C72H110S6
Molecular formula furigana： C72-H110-S6
Molecular weight： 1168.030
InChI： InChI=1S/C72H110S6/c1-7-13-19-25-31-37-43-57-51-63(74-56-57)69-59(45-39-33-27-21-15-9-3)53-65(76-69)71-61(47-41-35-29-23-17-11-5)55-67(78-71)72-62(48-42-36-30-24-18-12-6)54-66(77-72)70-60(46-40-34-28-22-16-10-4)52-64(75-70)68-58(49-50-73-68)44-38-32-26-20-14-8-2/h49-56H,7-48H2,1-6H3
InChI key： SENIZYZGOWLUQV-UHFFFAOYSA-N
SMILES： CCCCCCCCc1csc(c1)c1sc(cc1CCCCCCCC)c1sc(cc1CCCCCCCC)c1sc(cc1CCCCCCCC)c1sc(cc1CCCCCCCC)c1sccc1CCCCCCCC
Systematic name  (4)：
  • 3,4′,4′′,4′′′,4′′′′,4′′′′′-ヘキサオクチル-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′-セキシチオフェン
  • 3,3′,3′′,3′′′,3′′′′,3′′′′′-ヘキサオクチル-2,5′:2′,5′′:2′′,5′′′:2′′′,5′′′′:2′′′′,5′′′′′-セキシチオフェン
  • 5-{3',4-ジオクチル-[2,2'-ビチオフェン]-5-イル}-5'-{3,4'-ジオクチル-[2,2'-ビチオフェン]-5-イル}-3,4'-ジオクチル-2,2'-ビチオフェン
  • 5-{3',4-dioctyl-[2,2'-bithiophen]-5-yl}-5'-{3,4'-dioctyl-[2,2'-bithiophen]-5-yl}-3,4'-dioctyl-2,2'-bithiophene
Other name (2)：
  • 3,4′,4′′,4′′′,4′′′′,4′′′′′-Hexaoctyl-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′-sexithiophene
  • 3,3′,3′′,3′′′,3′′′′,3′′′′′-Hexaoctyl-2,5′:2′,5′′:2′′,5′′′:2′′′,5′′′′:2′′′′,5′′′′′-sexithiophene
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