Chem
J-GLOBAL ID:200907049431768894   Nikkaji number:J1.760.232B

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

3,4,5-トリフルオロ安息香酸4-[[4-(ヘプチルオキシ)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: C28H23F5O3
Molecular formula furigana: C28-H23-F5-O3
Molecular weight: 502.481
InChI: InChI=1S/C28H23F5O3/c1-2-3-4-5-6-13-35-21-11-9-18(10-12-21)7-8-19-14-24(31)27(25(32)15-19)36-28(34)20-16-22(29)26(33)23(30)17-20/h9-12,14-17H,2-6,13H2,1H3
InChI key: DPMLULWNQPWKCM-UHFFFAOYSA-N
SMILES: CCCCCCCOc1ccc(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-(ヘプチルオキシ)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-(ヘプチルオキシ)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-(heptyloxy)phenyl]ethynyl}phenyl 3,4,5-trifluorobenzoate
Other name (1):
  • 3,4,5-Trifluorobenzoic acid 4-[[4-(heptyloxy)phenyl]ethynyl]-2,6-difluorophenyl ester
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