Chem
J-GLOBAL ID：200907079644737026   Nikkaji number：J2.134.838D

2′,7′-Difluoro-3′,6′-bis(2,4-dinitrophenylsulfonyloxy)spiro[isobenzofuran-1(3H),9′-[9H]xanthene]-3-one

2′,7′-ジフルオロ-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： C32H14F2[N+]4O13[O-]4S2
Molecular formula furigana： C32-H14-F2-N4-O17-S2
Molecular weight： 828.590
InChI： InChI=1S/C32H14F2N4O17S2/c33-21-11-19-25(13-27(21)54-56(48,49)29-7-5-15(35(40)41)9-23(29)37(44)45)52-26-14-28(55-57(50,51)30-8-6-16(36(42)43)10-24(30)38(46)47)22(34)12-20(26)32(19)18-4-2-1-3-17(18)31(39)53-32/h1-14H
InChI key： BWNSFIHWDWOFAU-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)Oc1cc2Oc3cc(OS(=O)(=O)c4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])c(F)cc3C3(OC(=O)c4ccccc34)c2cc1F
Systematic name  (3)：
  • 2′,7′-ジフルオロ-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
  • 3'-[(2,4-ジニトロベンゼンスルホニル)オキシ]-2',7'-ジフルオロ-3-オキソ-3H-スピロ[2-ベンゾフラン-1,9'-キサンテン]-6'-イル 2,4-ジニトロベンゼン-1-スルホナート
  • 3'-[(2,4-dinitrobenzenesulfonyl)oxy]-2',7'-difluoro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-6'-yl 2,4-dinitrobenzene-1-sulfonate
Other name (1)：
  • 2′,7′-Difluoro-3′,6′-bis(2,4-dinitrophenylsulfonyloxy)spiro[isobenzofuran-1(3H),9′-[9H]xanthene]-3-one
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