Chem
J-GLOBAL ID:200907050460398611   Nikkaji number:J1.760.230F

3,4,5-Trifluorobenzoic acid 4-[[4-(pentyloxy)phenyl]ethynyl]-2,6-difluorophenyl ester

3,4,5-トリフルオロ安息香酸4-[[4-(ペンチルオキシ)フェニル]エチニル]-2,6-ジフルオロフェニル
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: C26H19F5O3
Molecular formula furigana: C26-H19-F5-O3
Molecular weight: 474.427
InChI: InChI=1S/C26H19F5O3/c1-2-3-4-11-33-19-9-7-16(8-10-19)5-6-17-12-22(29)25(23(30)13-17)34-26(32)18-14-20(27)24(31)21(28)15-18/h7-10,12-15H,2-4,11H2,1H3
InChI key: HSBSQBNJPXYTNK-UHFFFAOYSA-N
SMILES: CCCCCOc1ccc(cc1)C#Cc1cc(F)c(OC(=O)c2cc(F)c(F)c(F)c2)c(F)c1
Systematic name  (3):
  • 3,4,5-トリフルオロ安息香酸4-[[4-(ペンチルオキシ)フェニル]エチニル]-2,6-ジフルオロフェニル
  • 2,6-ジフルオロ-4-{2-[4-(ペンチルオキシ)フェニル]エチニル}フェニル 3,4,5-トリフルオロベンゾアート
  • 2,6-difluoro-4-{2-[4-(pentyloxy)phenyl]ethynyl}phenyl 3,4,5-trifluorobenzoate
Other name (1):
  • 3,4,5-Trifluorobenzoic acid 4-[[4-(pentyloxy)phenyl]ethynyl]-2,6-difluorophenyl ester
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