Chem
J-GLOBAL ID:200907051223509898   Nikkaji number:J1.321.436K

1,3,5-Benzenetricarboxylic acid tris[4-(1,3-decadiynyl)phenyl] ester

1,3,5-ベンゼントリカルボン酸トリス[4-(1,3-デカジイニル)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: C57H54O6
Molecular formula furigana: C57-H54-O6
Molecular weight: 835.053
InChI: InChI=1S/C57H54O6/c1-4-7-10-13-16-19-22-25-28-46-31-37-52(38-32-46)61-55(58)49-43-50(56(59)62-53-39-33-47(34-40-53)29-26-23-20-17-14-11-8-5-2)45-51(44-49)57(60)63-54-41-35-48(36-42-54)30-27-24-21-18-15-12-9-6-3/h31-45H,4-18H2,1-3H3
InChI key: IMNDENACWNNAMC-UHFFFAOYSA-N
SMILES: CCCCCCC#CC#Cc1ccc(OC(=O)c2cc(cc(c2)C(=O)Oc2ccc(cc2)C#CC#CCCCCCC)C(=O)Oc2ccc(cc2)C#CC#CCCCCCC)cc1
Systematic name  (3):
  • 1,3,5-ベンゼントリカルボン酸トリス[4-(1,3-デカジイニル)フェニル]
  • 1,3,5-トリス[4-(デカ-1,3-ジイン-1-イル)フェニル] ベンゼン-1,3,5-トリカルボキシラート
  • 1,3,5-tris[4-(deca-1,3-diyn-1-yl)phenyl] benzene-1,3,5-tricarboxylate
Other name (1):
  • 1,3,5-Benzenetricarboxylic acid tris[4-(1,3-decadiynyl)phenyl] ester
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