Chem
J-GLOBAL ID：201407032152266528   Nikkaji number：J3.221.153D

1,4-Bis(4-octylphenylethynyl)benzene

1,4-ビス(4-オクチ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： C38H46
Molecular formula furigana： C38-H46
Molecular weight： 502.786
InChI： InChI=1S/C38H46/c1-3-5-7-9-11-13-15-33-17-21-35(22-18-33)25-27-37-29-31-38(32-30-37)28-26-36-23-19-34(20-24-36)16-14-12-10-8-6-4-2/h17-24,29-32H,3-16H2,1-2H3
InChI key： NGUIXSWOSVQCGP-UHFFFAOYSA-N
SMILES： CCCCCCCCc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(CCCCCCCC)cc1
Systematic name  (3)：
  • 1,4-ビス(4-オクチルフェニルエチニル)ベンゼン
  • 1-オクチル-4-(2-{4-[2-(4-オクチルフェニル)エチニル]フェニル}エチニル)ベンゼン
  • 1-octyl-4-(2-{4-[2-(4-octylphenyl)ethynyl]phenyl}ethynyl)benzene
Other name (1)：
  • 1,4-Bis(4-octylphenylethynyl)benzene
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