Chem
J-GLOBAL ID:200907072011085645   Nikkaji number:J2.582.477F

Bis(8-pyridiniooctanoic acid)biphenyl-4,4′-diyl ester

ビス(8-ピリジニオオクタン酸)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: C38H46[N+]2O4
Molecular formula furigana: C38-H46-N2-O4
Molecular weight: 594.795
InChI: InChI=1S/C38H46N2O4/c41-37(17-9-3-1-5-11-27-39-29-13-7-14-30-39)43-35-23-19-33(20-24-35)34-21-25-36(26-22-34)44-38(42)18-10-4-2-6-12-28-40-31-15-8-16-32-40/h7-8,13-16,19-26,29-32H,1-6,9-12,17-18,27-28H2/q+2
InChI key: USXRTXCTUXHSAO-UHFFFAOYSA-N
SMILES: O=C(CCCCCCC[n+]1ccccc1)Oc1ccc(cc1)c1ccc(OC(=O)CCCCCCC[n+]2ccccc2)cc1
Systematic name  (3):
  • ビス(8-ピリジニオオクタン酸)ビフェニル-4,4′-ジイル
  • 1-{8-オキソ-8-[(4'-{[8-(ピリジン-1-イウム-1-イル)オクタノイル]オキシ}-[1,1'-ビフェニル]-4-イル)オキシ]オクチル}ピリジン-1-イウム
  • 1-{8-oxo-8-[(4'-{[8-(pyridin-1-ium-1-yl)octanoyl]oxy}-[1,1'-biphenyl]-4-yl)oxy]octyl}pyridin-1-ium
Other name (1):
  • Bis(8-pyridiniooctanoic acid)biphenyl-4,4′-diyl ester
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