Chem
J-GLOBAL ID：200907027023928987   Nikkaji number：J865.779C

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

1,3,5-ベンゼントリカルボン酸トリス[4-[4-[4-(オクチルオキシ)フェニル]-1,3-ブタジイニル]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： C81H78O9
Molecular formula furigana： C81-H78-O9
Molecular weight： 1195.506
InChI： InChI=1S/C81H78O9/c1-4-7-10-13-16-25-58-85-73-46-34-64(35-47-73)28-19-22-31-67-40-52-76(53-41-67)88-79(82)70-61-71(80(83)89-77-54-42-68(43-55-77)32-23-20-29-65-36-48-74(49-37-65)86-59-26-17-14-11-8-5-2)63-72(62-70)81(84)90-78-56-44-69(45-57-78)33-24-21-30-66-38-50-75(51-39-66)87-60-27-18-15-12-9-6-3/h34-57,61-63H,4-18,25-27,58-60H2,1-3H3
InChI key： PPBPZQFVPCVURE-UHFFFAOYSA-N
SMILES： CCCCCCCCOc1ccc(cc1)C#CC#Cc1ccc(OC(=O)c2cc(cc(c2)C(=O)Oc2ccc(cc2)C#CC#Cc2ccc(OCCCCCCCC)cc2)C(=O)Oc2ccc(cc2)C#CC#Cc2ccc(OCCCCCCCC)cc2)cc1
Systematic name  (3)：
  • 1,3,5-ベンゼントリカルボン酸トリス[4-[4-[4-(オクチルオキシ)フェニル]-1,3-ブタジイニル]フェニル]
  • 1,3,5-トリス(4-{4-[4-(オクチルオキシ)フェニル]ブタ-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-{4-[4-(octyloxy)phenyl]buta-1,3-diyn-1-yl}phenyl) benzene-1,3,5-tricarboxylate
Other name (1)：
  • 1,3,5-Benzenetricarboxylic acid tris[4-[4-[4-(octyloxy)phenyl]-1,3-butadiynyl]phenyl] ester
Thsaurus map：
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