Chem
J-GLOBAL ID：200907050055226269   Nikkaji number：J2.134.840F

3′,6′-Bis(2,4-dinitrophenylsulfonyloxy)spiro[isobenzofuran-1(3H),9′-[9H]xanthene]-3-one

3′,6′-ビス(2,4-ジニトロフェニルスルホニルオキシ)スピロ[イソベンゾフラン-1(3H),9′-[9H]キサンテン]-3-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： C32H16[N+]4O13[O-]4S2
Molecular formula furigana： C32-H16-N4-O17-S2
Molecular weight： 792.610
InChI： InChI=1S/C32H16N4O17S2/c37-31-21-3-1-2-4-22(21)32(51-31)23-9-7-19(52-54(46,47)29-11-5-17(33(38)39)13-25(29)35(42)43)15-27(23)50-28-16-20(8-10-24(28)32)53-55(48,49)30-12-6-18(34(40)41)14-26(30)36(44)45/h1-16H
InChI key： ONHSRLBRHAHOHQ-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)Oc1ccc2c(Oc3cc(OS(=O)(=O)c4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])ccc3C32OC(=O)c2ccccc32)c1
Systematic name  (3)：
  • 3′,6′-ビス(2,4-ジニトロフェニルスルホニルオキシ)スピロ[イソベンゾフラン-1(3H),9′-[9H]キサンテン]-3-オン
  • 6'-[(2,4-ジニトロベンゼンスルホニル)オキシ]-3-オキソ-3H-スピロ[2-ベンゾフラン-1,9'-キサンテン]-3'-イル 2,4-ジニトロベンゼン-1-スルホナート
  • 6'-[(2,4-dinitrobenzenesulfonyl)oxy]-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-3'-yl 2,4-dinitrobenzene-1-sulfonate
Other name (1)：
  • 3′,6′-Bis(2,4-dinitrophenylsulfonyloxy)spiro[isobenzofuran-1(3H),9′-[9H]xanthene]-3-one
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