Chem
J-GLOBAL ID:200907043493306457   Nikkaji number:J1.931.404I

1-(2,4,6-Trinitrophenyl)-1-(1-phenacyl-1,2-diaza-3-azonia-1H-indene-3-yl)-2-oxo-2-(4-methoxyphenyl)ethane-1-ide

1-(2,4,6-トリニトロフェニル)-1-(1-フェナシル-1,2-ジアザ-3-アゾニア-1H-インデン-3-イル)-2-オキソ-2-(4-メトキシフェニル)エタン-1-イド
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: C28[C-]H20N2[N+]4O6[O-]3
Molecular formula furigana: C29-H20-N6-O9
Molecular weight: 596.512
InChI: InChI=1S/C29H20N6O9/c1-44-21-13-11-19(12-14-21)29(37)28(27-24(34(40)41)15-20(33(38)39)16-25(27)35(42)43)32-23-10-6-5-9-22(23)31(30-32)17-26(36)18-7-3-2-4-8-18/h2-16H,17H2,1H3/b32-28+
InChI key: RABCBFVOHGFTRM-VEWQFJOQSA-N
SMILES: COc1ccc(cc1)C(=O)[C-](c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[n+]1nn(CC(=O)c2ccccc2)c2ccccc12
Systematic name  (3):
  • 1-(2,4,6-トリニトロフェニル)-1-(1-フェナシル-1,2-ジアザ-3-アゾニア-1H-インデン-3-イル)-2-オキソ-2-(4-メトキシフェニル)エタン-1-イド
  • 2-(4-メトキシフェニル)-2-オキソ-1-[1-(2-オキソ-2-フェニルエチル)-1H-1,2,3-ベンゾトリアゾール-3-イウム-3-イル]-1-(2,4,6-トリニトロフェニル)エタニド
  • 2-(4-methoxyphenyl)-2-oxo-1-[1-(2-oxo-2-phenylethyl)-1H-1,2,3-benzotriazol-3-ium-3-yl]-1-(2,4,6-trinitrophenyl)ethanide
Other name (1):
  • 1-(2,4,6-Trinitrophenyl)-1-(1-phenacyl-1,2-diaza-3-azonia-1H-indene-3-yl)-2-oxo-2-(4-methoxyphenyl)ethane-1-ide
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