Chem
J-GLOBAL ID：200907086236804021   Nikkaji number：J2.242.945K

1,4-Bis(methylthio)-2,5-bis[4-(hexyloxy)phenylethynyl]benzene

1,4-ビス(メチルチオ)-2,5-ビス[4-(ヘキシルオキシ)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： C36H42O2S2
Molecular formula furigana： C36-H42-O2-S2
Molecular weight： 570.850
InChI： InChI=1S/C36H42O2S2/c1-5-7-9-11-25-37-33-21-15-29(16-22-33)13-19-31-27-36(40-4)32(28-35(31)39-3)20-14-30-17-23-34(24-18-30)38-26-12-10-8-6-2/h15-18,21-24,27-28H,5-12,25-26H2,1-4H3
InChI key： ZQOKVSNGEIVKRL-UHFFFAOYSA-N
SMILES： CCCCCCOc1ccc(cc1)C#Cc1cc(SC)c(cc1SC)C#Cc1ccc(OCCCCCC)cc1
Systematic name  (3)：
  • 1,4-ビス(メチルチオ)-2,5-ビス[4-(ヘキシルオキシ)フェニルエチニル]ベンゼン
  • 1,4-ビス({2-[4-(ヘキシルオキシ)フェニル]エチニル})-2,5-ビス(メチルスルファニル)ベンゼン
  • 1,4-bis({2-[4-(hexyloxy)phenyl]ethynyl})-2,5-bis(methylsulfanyl)benzene
Other name (1)：
  • 1,4-Bis(methylthio)-2,5-bis[4-(hexyloxy)phenylethynyl]benzene
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