Chem
J-GLOBAL ID：200907020977530629   Nikkaji number：J2.582.487C

4,4′-Bi[benzoic acid 11-pyridinioundecyl] ester

4,4′-ビ[安息香酸11-ピリジニオウンデシル]
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： C46H62[N+]2O4
Molecular formula furigana： C46-H62-N2-O4
Molecular weight： 707.011
InChI： InChI=1S/C46H62N2O4/c49-45(51-39-23-13-9-5-1-3-7-11-17-33-47-35-19-15-20-36-47)43-29-25-41(26-30-43)42-27-31-44(32-28-42)46(50)52-40-24-14-10-6-2-4-8-12-18-34-48-37-21-16-22-38-48/h15-16,19-22,25-32,35-38H,1-14,17-18,23-24,33-34,39-40H2/q+2
InChI key： YPXFCSWHPPQGRC-UHFFFAOYSA-N
SMILES： O=C(OCCCCCCCCCCC[n+]1ccccc1)c1ccc(cc1)c1ccc(cc1)C(=O)OCCCCCCCCCCC[n+]1ccccc1
Systematic name  (3)：
  • 4,4′-ビ[安息香酸11-ピリジニオウンデシル]
  • 1-{11-[4'-({[11-(ピリジン-1-イウム-1-イル)ウンデシル]オキシ}カルボニル)-[1,1'-ビフェニル]-4-カルボニルオキシ]ウンデシル}ピリジン-1-イウム
  • 1-{11-[4'-({[11-(pyridin-1-ium-1-yl)undecyl]oxy}carbonyl)-[1,1'-biphenyl]-4-carbonyloxy]undecyl}pyridin-1-ium
Other name (1)：
  • 4,4′-Bi[benzoic acid 11-pyridinioundecyl] ester
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