Chem
J-GLOBAL ID：200907080355234812   Nikkaji number：J1.456.919G

4,4′-[Ethyne-1,2-diylbis[1,4-phenylene(ethyne-1,2-diyl)(1,4-phenylene)(ethyne-1,2-diyl)(1,4-phenylene)(ethyne-1,2-diyl)]]bis(benzenethiol)

4,4′-[エチン-1,2-ジイルビス[1,4-フェニレン(エチン-1,2-ジイル)(1,4-フェニレン)(エチン-1,2-ジイル)(1,4-フェニレン)(エチン-1,2-ジイル)]]ビス(ベンゼンチオール)
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： C62H34S2
Molecular formula furigana： C62-H34-S2
Molecular weight： 843.070
InChI： InChI=1S/C62H34S2/c63-61-43-39-59(40-44-61)37-35-57-31-27-55(28-32-57)25-23-53-19-15-51(16-20-53)13-11-49-7-3-47(4-8-49)1-2-48-5-9-50(10-6-48)12-14-52-17-21-54(22-18-52)24-26-56-29-33-58(34-30-56)36-38-60-41-45-62(64)46-42-60/h3-10,15-22,27-34,39-46,63-64H
InChI key： WUPBBUFRDFVMHD-UHFFFAOYSA-N
SMILES： Sc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(S)cc1
Systematic name  (3)：
  • 4,4′-[エチン-1,2-ジイルビス[1,4-フェニレン(エチン-1,2-ジイル)(1,4-フェニレン)(エチン-1,2-ジイル)(1,4-フェニレン)(エチン-1,2-ジイル)]]ビス(ベンゼンチオール)
  • 4-[2-(4-{2-[4-(2-{4-[2-(4-{2-[4-(2-{4-[2-(4-スルファニルフェニル)エチニル]フェニル}エチニル)フェニル]エチニル}フェニル)エチニル]フェニル}エチニル)フェニル]エチニル}フェニル)エチニル]ベンゼン-1-チオール
  • 4-[2-(4-{2-[4-(2-{4-[2-(4-{2-[4-(2-{4-[2-(4-sulfanylphenyl)ethynyl]phenyl}ethynyl)phenyl]ethynyl}phenyl)ethynyl]phenyl}ethynyl)phenyl]ethynyl}phenyl)ethynyl]benzene-1-thiol
Other name (1)：
  • 4,4′-[Ethyne-1,2-diylbis[1,4-phenylene(ethyne-1,2-diyl)(1,4-phenylene)(ethyne-1,2-diyl)(1,4-phenylene)(ethyne-1,2-diyl)]]bis(benzenethiol)
Thsaurus map：
Thesaurus Map

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