Chem
J-GLOBAL ID：200907052983904114   Nikkaji number：J2.582.491A

Bis(11-pyridinioundecanoic acid)azobenzene-4,4′-diyl ester

ビス(11-ピリジニオウンデカン酸)アゾベンゼン-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： C44H58N2[N+]2O4
Molecular formula furigana： C44-H58-N4-O4
Molecular weight： 706.971
InChI： InChI=1S/C44H58N4O4/c49-43(23-15-9-5-1-3-7-11-17-33-47-35-19-13-20-36-47)51-41-29-25-39(26-30-41)45-46-40-27-31-42(32-28-40)52-44(50)24-16-10-6-2-4-8-12-18-34-48-37-21-14-22-38-48/h13-14,19-22,25-32,35-38H,1-12,15-18,23-24,33-34H2/q+2
InChI key： XJZGHIFGDIFXCO-UHFFFAOYSA-N
SMILES： O=C(CCCCCCCCCC[n+]1ccccc1)Oc1ccc(cc1)N=Nc1ccc(OC(=O)CCCCCCCCCC[n+]2ccccc2)cc1
Systematic name  (3)：
  • ビス(11-ピリジニオウンデカン酸)アゾベンゼン-4,4′-ジイル
  • 1-(11-オキソ-11-{4-[2-(4-{[11-(ピリジン-1-イウム-1-イル)ウンデカノイル]オキシ}フェニル)ジアゼン-1-イル]フェノキシ}ウンデシル)ピリジン-1-イウム
  • 1-(11-oxo-11-{4-[2-(4-{[11-(pyridin-1-ium-1-yl)undecanoyl]oxy}phenyl)diazen-1-yl]phenoxy}undecyl)pyridin-1-ium
Other name (1)：
  • Bis(11-pyridinioundecanoic acid)azobenzene-4,4′-diyl ester
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