Chem
J-GLOBAL ID：200907088711970627   Nikkaji number：J1.404.448E

5,5′-[(1,8-Anthracenediyl)bisethynylene]bis(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(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： C38H26O8
Molecular formula furigana： C38-H26-O8
Molecular weight： 610.618
InChI： InChI=1S/C38H26O8/c1-43-35(39)29-15-23(16-30(20-29)36(40)44-2)11-13-25-7-5-9-27-19-28-10-6-8-26(34(28)22-33(25)27)14-12-24-17-31(37(41)45-3)21-32(18-24)38(42)46-4/h5-10,15-22H,1-4H3
InChI key： INNWRXYAFNAOOF-UHFFFAOYSA-N
SMILES： COC(=O)c1cc(cc(c1)C(=O)OC)C#Cc1cccc2cc3cccc(C#Cc4cc(cc(c4)C(=O)OC)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(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)フェニル]エチニル}アントラセン-1-イル)エチニル]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)phenyl]ethynyl}anthracen-1-yl)ethynyl]benzene-1,3-dicarboxylate
Other name (1)：
  • 5,5′-[(1,8-Anthracenediyl)bisethynylene]bis(isophthalic acid dimethyl) ester
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