Chem
J-GLOBAL ID：200907034668232592   Nikkaji number：J2.689.822F

10-[11-Oxo-11-[(2,5-dioxopyrrolizino)oxy]undecyl]-9-[(2,6-dinitrophenoxy)carbonyl]acridinium

10-[11-オキソ-11-[(2,5-ジオキソピロリジノ)オキシ]ウンデシル]-9-[(2,6-ジニトロフェノキシ)カルボニル]アクリジニウム
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： C35H35N[N+]3O8[O-]2
Molecular formula furigana： C35-H35-N4-O10
Molecular weight： 671.682
InChI： InChI=1S/C35H35N4O10/c40-30-21-22-31(41)37(30)49-32(42)20-7-5-3-1-2-4-6-12-23-36-26-16-10-8-14-24(26)33(25-15-9-11-17-27(25)36)35(43)48-34-28(38(44)45)18-13-19-29(34)39(46)47/h8-11,13-19H,1-7,12,20-23H2/q+1
InChI key： VWVLJPIHRQKBAF-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1cccc(c1OC(=O)c1c2ccccc2[n+](CCCCCCCCCCC(=O)ON2C(=O)CCC2=O)c2ccccc12)[N+](=O)[O-]
Systematic name  (3)：
  • 10-[11-オキソ-11-[(2,5-ジオキソピロリジノ)オキシ]ウンデシル]-9-[(2,6-ジニトロフェノキシ)カルボニル]アクリジニウム
  • 9-[(2,6-ジニトロフェノキシ)カルボニル]-10-{11-[(2,5-ジオキソピロリジン-1-イル)オキシ]-11-オキソウンデシル}アクリジン-10-イウム
  • 9-[(2,6-dinitrophenoxy)carbonyl]-10-{11-[(2,5-dioxopyrrolidin-1-yl)oxy]-11-oxoundecyl}acridin-10-ium
Other name (1)：
  • 10-[11-Oxo-11-[(2,5-dioxopyrrolizino)oxy]undecyl]-9-[(2,6-dinitrophenoxy)carbonyl]acridinium
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