Chem
J-GLOBAL ID:200907072946786978   Nikkaji number:J893.194A

1,4-Bis[(3-fluoro-4-butoxyphenyl)ethynyl]-2-methylbenzene

1,4-ビス[(3-フルオロ-4-ブトキシフェニル)エチニル]-2-メチルベンゼン
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: C31H30F2O2
Molecular formula furigana: C31-H30-F2-O2
Molecular weight: 472.576
InChI: InChI=1S/C31H30F2O2/c1-4-6-18-34-30-16-12-25(21-28(30)32)9-8-24-10-14-27(23(3)20-24)15-11-26-13-17-31(29(33)22-26)35-19-7-5-2/h10,12-14,16-17,20-22H,4-7,18-19H2,1-3H3
InChI key: HBKOYZDZNMWCNT-UHFFFAOYSA-N
SMILES: CCCCOc1ccc(cc1F)C#Cc1ccc(C#Cc2ccc(OCCCC)c(F)c2)c(C)c1
Systematic name  (3):
  • 1,4-ビス[(3-フルオロ-4-ブトキシフェニル)エチニル]-2-メチルベンゼン
  • 1-ブトキシ-4-(2-{4-[2-(4-ブトキシ-3-フルオロフェニル)エチニル]-3-メチルフェニル}エチニル)-2-フルオロベンゼン
  • 1-butoxy-4-(2-{4-[2-(4-butoxy-3-fluorophenyl)ethynyl]-3-methylphenyl}ethynyl)-2-fluorobenzene
Other name (1):
  • 1,4-Bis[(3-fluoro-4-butoxyphenyl)ethynyl]-2-methylbenzene
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