Chem
J-GLOBAL ID：200907093101772525   Nikkaji number：J1.141.110J

1,3,5-Tris[4-[4-(acetylthio)phenylethynyl]phenylethynyl]benzene

1,3,5-トリス[4-[4-(アセチルチオ)フェニルエチニル]フェニルエチニル]ベンゼン
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： C60H36O3S3
Molecular formula furigana： C60-H36-O3-S3
Molecular weight： 901.130
InChI： InChI=1S/C60H36O3S3/c1-43(61)64-58-34-28-52(29-35-58)19-16-46-4-10-49(11-5-46)22-25-55-40-56(26-23-50-12-6-47(7-13-50)17-20-53-30-36-59(37-31-53)65-44(2)62)42-57(41-55)27-24-51-14-8-48(9-15-51)18-21-54-32-38-60(39-33-54)66-45(3)63/h4-15,28-42H,1-3H3
InChI key： QRUPGSUHLWQBFI-UHFFFAOYSA-N
SMILES： CC(=O)Sc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1cc(cc(c1)C#Cc1ccc(cc1)C#Cc1ccc(SC(=O)C)cc1)C#Cc1ccc(cc1)C#Cc1ccc(SC(=O)C)cc1
Systematic name  (4)：
  • 1,3,5-トリス[[4-[[4-(アセチルチオ)フェニル]エチニル]フェニル]エチニル]ベンゼン
  • 1,3,5-トリス[4-[4-(アセチルチオ)フェニルエチニル]フェニルエチニル]ベンゼン
  • 1-[(4-{2-[4-(2-{3,5-ビス[2-(4-{2-[4-(アセチルスルファニル)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)スルファニル]エタン-1-オン
  • 1-[(4-{2-[4-(2-{3,5-bis[2-(4-{2-[4-(acetylsulfanyl)phenyl]ethynyl}phenyl)ethynyl]phenyl}ethynyl)phenyl]ethynyl}phenyl)sulfanyl]ethan-1-one
Other name (2)：
  • 1,3,5-Tris[[4-[[4-(acetylthio)phenyl]ethynyl]phenyl]ethynyl]benzene
  • 1,3,5-Tris[4-[4-(acetylthio)phenylethynyl]phenylethynyl]benzene
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