Chem
J-GLOBAL ID：200907072204771457   Nikkaji number：J2.582.475J

Bis(10-pyridiniodecanoic acid)biphenyl-4,4′-diyl ester

ビス(10-ピリジニオデカン酸)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： C42H54[N+]2O4
Molecular formula furigana： C42-H54-N2-O4
Molecular weight： 650.903
InChI： InChI=1S/C42H54N2O4/c45-41(21-13-7-3-1-5-9-15-31-43-33-17-11-18-34-43)47-39-27-23-37(24-28-39)38-25-29-40(30-26-38)48-42(46)22-14-8-4-2-6-10-16-32-44-35-19-12-20-36-44/h11-12,17-20,23-30,33-36H,1-10,13-16,21-22,31-32H2/q+2
InChI key： OFKYEHUVUWAYKU-UHFFFAOYSA-N
SMILES： O=C(CCCCCCCCC[n+]1ccccc1)Oc1ccc(cc1)c1ccc(OC(=O)CCCCCCCCC[n+]2ccccc2)cc1
Systematic name  (3)：
  • ビス(10-ピリジニオデカン酸)ビフェニル-4,4′-ジイル
  • 1-{10-オキソ-10-[(4'-{[10-(ピリジン-1-イウム-1-イル)デカノイル]オキシ}-[1,1'-ビフェニル]-4-イル)オキシ]デシル}ピリジン-1-イウム
  • 1-{10-oxo-10-[(4'-{[10-(pyridin-1-ium-1-yl)decanoyl]oxy}-[1,1'-biphenyl]-4-yl)oxy]decyl}pyridin-1-ium
Other name (1)：
  • Bis(10-pyridiniodecanoic acid)biphenyl-4,4′-diyl ester
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