Chem
J-GLOBAL ID：200907034534466910   Nikkaji number：J1.404.451E

5,5′-[(1,8-Anthracenediyl)bisethynylene]bis[2-(trifluoromethylsulfonyloxy)isophthalic acid dimethyl] ester

5,5′-[(1,8-アントラセンジイル)ビスエチニレン]ビス[2-(トリフルオロメチルスルホニルオキシ)イソフタル酸ジメチル]
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： C40H24F6O14S2
Molecular formula furigana： C40-H24-F6-O14-S2
Molecular weight： 906.730
InChI： InChI=1S/C40H24F6O14S2/c1-55-35(47)29-15-21(16-30(36(48)56-2)33(29)59-61(51,52)39(41,42)43)11-13-23-7-5-9-25-19-26-10-6-8-24(28(26)20-27(23)25)14-12-22-17-31(37(49)57-3)34(32(18-22)38(50)58-4)60-62(53,54)40(44,45)46/h5-10,15-20H,1-4H3
InChI key： VEYYSUOYKCNKPU-UHFFFAOYSA-N
SMILES： COC(=O)c1cc(cc(C(=O)OC)c1OS(=O)(=O)C(F)(F)F)C#Cc1cccc2cc3cccc(C#Cc4cc(C(=O)OC)c(OS(=O)(=O)C(F)(F)F)c(c4)C(=O)OC)c3cc12
Systematic name  (3)：
  • 5,5′-[(1,8-アントラセンジイル)ビスエチニレン]ビス[2-(トリフルオロメチルスルホニルオキシ)イソフタル酸ジメチル]
  • 1,3-ジメチル 5-[2-(8-{2-[3,5-ビス(メトキシカルボニル)-4-(トリフルオロメタンスルホニルオキシ)フェニル]エチニル}アントラセン-1-イル)エチニル]-2-(トリフルオロメタンスルホニルオキシ)ベンゼン-1,3-ジカルボキシラート
  • 1,3-dimethyl 5-[2-(8-{2-[3,5-bis(methoxycarbonyl)-4-(trifluoromethanesulfonyloxy)phenyl]ethynyl}anthracen-1-yl)ethynyl]-2-(trifluoromethanesulfonyloxy)benzene-1,3-dicarboxylate
Other name (1)：
  • 5,5′-[(1,8-Anthracenediyl)bisethynylene]bis[2-(trifluoromethylsulfonyloxy)isophthalic acid dimethyl] ester
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