Chem
J-GLOBAL ID：200907001442169582   Nikkaji number：J1.859.667I

Thioacetic acid S-[4-[[3-ethyl-4-[[3-fluoro-4-(phenylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl] ester

チオ酢酸S-[4-[[3-エチル-4-[[3-フルオロ-4-(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]
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： C34H23FOS
Molecular formula furigana： C34-H23-F-O-S
Molecular weight： 498.620
InChI： InChI=1S/C34H23FOS/c1-3-30-23-28(10-9-27-15-21-33(22-16-27)37-25(2)36)12-17-31(30)18-13-29-14-20-32(34(35)24-29)19-11-26-7-5-4-6-8-26/h4-8,12,14-17,20-24H,3H2,1-2H3
InChI key： QGXAFSUMQDZALF-UHFFFAOYSA-N
SMILES： CCc1cc(ccc1C#Cc1ccc(C#Cc2ccccc2)c(F)c1)C#Cc1ccc(SC(=O)C)cc1
Systematic name  (3)：
  • チオ酢酸S-[4-[[3-エチル-4-[[3-フルオロ-4-(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]
  • 1-({4-[2-(3-エチル-4-{2-[3-フルオロ-4-(2-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-(3-ethyl-4-{2-[3-fluoro-4-(2-phenylethynyl)phenyl]ethynyl}phenyl)ethynyl]phenyl}sulfanyl)ethan-1-one
Other name (1)：
  • Thioacetic acid S-[4-[[3-ethyl-4-[[3-fluoro-4-(phenylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl] ester
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