Chem
J-GLOBAL ID：200907066739520755   Nikkaji number：J2.582.473C

Bis(12-pyridiniododecanoic acid)biphenyl-4,4′-diyl ester

ビス(12-ピリジニオドデカン酸)ビフェニル-4,4′-ジイル
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(25-17-11-7-3-1-5-9-13-19-35-47-37-21-15-22-38-47)51-43-31-27-41(28-32-43)42-29-33-44(34-30-42)52-46(50)26-18-12-8-4-2-6-10-14-20-36-48-39-23-16-24-40-48/h15-16,21-24,27-34,37-40H,1-14,17-20,25-26,35-36H2/q+2
InChI key： ODTNHKOZEPMQCM-UHFFFAOYSA-N
SMILES： O=C(CCCCCCCCCCC[n+]1ccccc1)Oc1ccc(cc1)c1ccc(OC(=O)CCCCCCCCCCC[n+]2ccccc2)cc1
Systematic name  (3)：
  • ビス(12-ピリジニオドデカン酸)ビフェニル-4,4′-ジイル
  • 1-{12-オキソ-12-[(4'-{[12-(ピリジン-1-イウム-1-イル)ドデカノイル]オキシ}-[1,1'-ビフェニル]-4-イル)オキシ]ドデシル}ピリジン-1-イウム
  • 1-{12-oxo-12-[(4'-{[12-(pyridin-1-ium-1-yl)dodecanoyl]oxy}-[1,1'-biphenyl]-4-yl)oxy]dodecyl}pyridin-1-ium
Other name (1)：
  • Bis(12-pyridiniododecanoic acid)biphenyl-4,4′-diyl ester
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