Chem
J-GLOBAL ID：200907003726742188   Nikkaji number：J2.582.481D

Bis(16-pyridiniohexadecanoic acid)biphenyl-4,4′-diyl ester

ビス(16-ピリジニオヘキサデカン酸)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： C54H78[N+]2O4
Molecular formula furigana： C54-H78-N2-O4
Molecular weight： 819.227
InChI： InChI=1S/C54H78N2O4/c57-53(33-25-19-15-11-7-3-1-5-9-13-17-21-27-43-55-45-29-23-30-46-55)59-51-39-35-49(36-40-51)50-37-41-52(42-38-50)60-54(58)34-26-20-16-12-8-4-2-6-10-14-18-22-28-44-56-47-31-24-32-48-56/h23-24,29-32,35-42,45-48H,1-22,25-28,33-34,43-44H2/q+2
InChI key： OFTGLQCOSDTLME-UHFFFAOYSA-N
SMILES： O=C(CCCCCCCCCCCCCCC[n+]1ccccc1)Oc1ccc(cc1)c1ccc(OC(=O)CCCCCCCCCCCCCCC[n+]2ccccc2)cc1
Systematic name  (3)：
  • ビス(16-ピリジニオヘキサデカン酸)ビフェニル-4,4′-ジイル
  • 1-{16-オキソ-16-[(4'-{[16-(ピリジン-1-イウム-1-イル)ヘキサデカノイル]オキシ}-[1,1'-ビフェニル]-4-イル)オキシ]ヘキサデシル}ピリジン-1-イウム
  • 1-{16-oxo-16-[(4'-{[16-(pyridin-1-ium-1-yl)hexadecanoyl]oxy}-[1,1'-biphenyl]-4-yl)oxy]hexadecyl}pyridin-1-ium
Other name (1)：
  • Bis(16-pyridiniohexadecanoic acid)biphenyl-4,4′-diyl ester
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