Chem
J-GLOBAL ID：200907057504970959   Nikkaji number：J1.616.684G

4-(4-Octyloxyphenylethynyl)benzoic acid 4-fluorophenyl ester

4-(4-オクチルオキシフェニルエチニル)安息香酸4-フルオロフェニル
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： C29H29FO3
Molecular formula furigana： C29-H29-F-O3
Molecular weight： 444.546
InChI： InChI=1S/C29H29FO3/c1-2-3-4-5-6-7-22-32-27-18-12-24(13-19-27)9-8-23-10-14-25(15-11-23)29(31)33-28-20-16-26(30)17-21-28/h10-21H,2-7,22H2,1H3
InChI key： FDOKOFOTWPEBRA-UHFFFAOYSA-N
SMILES： CCCCCCCCOc1ccc(cc1)C#Cc1ccc(cc1)C(=O)Oc1ccc(F)cc1
Systematic name  (4)：
  • 4-[[4-(オクチルオキシ)フェニル]エチニル]安息香酸4-フルオロフェニル
  • 4-(4-オクチルオキシフェニルエチニル)安息香酸4-フルオロフェニル
  • 4-フルオロフェニル 4-{2-[4-(オクチルオキシ)フェニル]エチニル}ベンゾアート
  • 4-fluorophenyl 4-{2-[4-(octyloxy)phenyl]ethynyl}benzoate
Other name (2)：
  • 4-[[4-(Octyloxy)phenyl]ethynyl]benzoic acid 4-fluorophenyl ester
  • 4-(4-Octyloxyphenylethynyl)benzoic acid 4-fluorophenyl ester
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