Chem
J-GLOBAL ID：200907097767647160   Nikkaji number：J2.582.479B

Bis(6-pyridiniohexanoic acid)biphenyl-4,4′-diyl ester

ビス(6-ピリジニオヘキサン酸)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： C34H38[N+]2O4
Molecular formula furigana： C34-H38-N2-O4
Molecular weight： 538.687
InChI： InChI=1S/C34H38N2O4/c37-33(13-5-1-7-23-35-25-9-3-10-26-35)39-31-19-15-29(16-20-31)30-17-21-32(22-18-30)40-34(38)14-6-2-8-24-36-27-11-4-12-28-36/h3-4,9-12,15-22,25-28H,1-2,5-8,13-14,23-24H2/q+2
InChI key： WGGDVGNUABOBNO-UHFFFAOYSA-N
SMILES： O=C(CCCCC[n+]1ccccc1)Oc1ccc(cc1)c1ccc(OC(=O)CCCCC[n+]2ccccc2)cc1
Systematic name  (3)：
  • ビス(6-ピリジニオヘキサン酸)ビフェニル-4,4′-ジイル
  • 1-{6-オキソ-6-[(4'-{[6-(ピリジン-1-イウム-1-イル)ヘキサノイル]オキシ}-[1,1'-ビフェニル]-4-イル)オキシ]ヘキシル}ピリジン-1-イウム
  • 1-{6-oxo-6-[(4'-{[6-(pyridin-1-ium-1-yl)hexanoyl]oxy}-[1,1'-biphenyl]-4-yl)oxy]hexyl}pyridin-1-ium
Other name (1)：
  • Bis(6-pyridiniohexanoic acid)biphenyl-4,4′-diyl ester
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