Chem
J-GLOBAL ID：200907017083020415   Nikkaji number：J1.403.377G

2,2′,2′′-(Benzene-1,3,5-triyl)tris(5-chloro-4-octylthiophene)

2,2′,2′′-(ベンゼン-1,3,5-トリイル)トリス(5-クロロ-4-オクチルチオフェン)
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： C42H57Cl3S3
Molecular formula furigana： C42-H57-CL3-S3
Molecular weight： 764.450
InChI： InChI=1S/C42H57Cl3S3/c1-4-7-10-13-16-19-22-31-28-37(46-40(31)43)34-25-35(38-29-32(41(44)47-38)23-20-17-14-11-8-5-2)27-36(26-34)39-30-33(42(45)48-39)24-21-18-15-12-9-6-3/h25-30H,4-24H2,1-3H3
InChI key： FAYDUCXHTALHTE-UHFFFAOYSA-N
SMILES： CCCCCCCCc1cc(sc1Cl)c1cc(cc(c1)c1cc(CCCCCCCC)c(Cl)s1)c1cc(CCCCCCCC)c(Cl)s1
Systematic name  (3)：
  • 2,2′,2′′-(ベンゼン-1,3,5-トリイル)トリス(5-クロロ-4-オクチルチオフェン)
  • 5-[3,5-ビス(5-クロロ-4-オクチルチオフェン-2-イル)フェニル]-2-クロロ-3-オクチルチオフェン
  • 5-[3,5-bis(5-chloro-4-octylthiophen-2-yl)phenyl]-2-chloro-3-octylthiophene
Other name (1)：
  • 2,2′,2′′-(Benzene-1,3,5-triyl)tris(5-chloro-4-octylthiophene)
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