Chem
J-GLOBAL ID：200907080033777047   Nikkaji number：J1.390.605J

1,3,5-Tris(4-carboxyphenylethynyl)benzene

1,3,5-トリス(4-カルボキシフェニルエチニル)ベンゼン
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： C33H18O6
Molecular formula furigana： C33-H18-O6
Molecular weight： 510.501
InChI： InChI=1S/C33H18O6/c34-31(35)28-13-7-22(8-14-28)1-4-25-19-26(5-2-23-9-15-29(16-10-23)32(36)37)21-27(20-25)6-3-24-11-17-30(18-12-24)33(38)39/h7-21H,(H,34,35)(H,36,37)(H,38,39)
InChI key： NIJMZBWVSRWZFZ-UHFFFAOYSA-N
SMILES： OC(=O)c1ccc(cc1)C#Cc1cc(cc(c1)C#Cc1ccc(cc1)C(=O)O)C#Cc1ccc(cc1)C(=O)O
Systematic name  (10)：
  • 4,4′,4′′-[(ベンゼン-1,3,5-トリイル)トリスエチニレン]三安息香酸
  • 1,3,5-トリス[(4-カルボキシフェニル)エチニル]ベンゼン
  • 1,3,5-トリス(4-カルボキシフェニルエチニル)ベンゼン
  • 4,4′,4′′-(1,3,5-ベンゼントリイルトリスエチニレン)トリス安息香酸
  • 4,4′,4′′-[(ベンゼン-1,3,5-トリイル)トリス(エチン-1,2-ジイル)]トリス(安息香酸)
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Other name (8)：
  • 4,4′,4′′-[(Benzene-1,3,5-triyl)trisethynylene]tribenzoic acid
  • 1,3,5-Tris[(4-carboxyphenyl)ethynyl]benzene
  • 1,3,5-Tris(4-carboxyphenylethynyl)benzene
  • 4,4′,4′′-(1,3,5-Benzenetriyltrisethynylene)trisbenzoic acid
  • 4,4′,4′′-[(Benzene-1,3,5-triyl)tris(ethyne-1,2-diyl)]tris(benzoic acid)
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