Chem
J-GLOBAL ID：200907009258339603   Nikkaji number：J946.751C

1,4,5,8-Tetrahydro-1,5-bis(4-nitrophenylsulfonyl)-1,5-diazocine-3,7(2H,6H)-dione

1,5-ビス(4-ニトロベンゼンスルホニル)-1,5-ジアゾカン-3,7-ジオン
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： C18H16N2[N+]2O8[O-]2S2
Molecular formula furigana： C18-H16-N4-O10-S2
Molecular weight： 512.460
InChI： InChI=1S/C18H16N4O10S2/c23-15-9-19(33(29,30)17-5-1-13(2-6-17)21(25)26)10-16(24)12-20(11-15)34(31,32)18-7-3-14(4-8-18)22(27)28/h1-8H,9-12H2
InChI key： SEMWBHJRFFYLDF-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CC(=O)CN(CC(=O)C1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • 1,4,5,8-テトラヒドロ-1,5-ビス(4-ニトロフェニルスルホニル)-1,5-ジアゾシン-3,7(2H,6H)-ジオン
  • 1,5-ビス(4-ニトロベンゼンスルホニル)-1,5-ジアゾカン-3,7-ジオン
  • 1,5-bis(4-nitrobenzenesulfonyl)-1,5-diazocane-3,7-dione
Other name (1)：
  • 1,4,5,8-Tetrahydro-1,5-bis(4-nitrophenylsulfonyl)-1,5-diazocine-3,7(2H,6H)-dione
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