Chem
J-GLOBAL ID：200907013806692926   Nikkaji number：J2.455.440F

Bis(4-nitrobenzenesulfonic acid)2,4,5,7-tetrafluoro-3′-oxospiro[9H-xanthene-9,1′(3′H)-isobenzofuran]-3,6-diyl ester

ビス(4-ニトロベンゼンスルホン酸)2,4,5,7-テトラフルオロ-3′-オキソスピロ[9H-キサンテン-9,1′(3′H)-イソベンゾフラン]-3,6-ジイル
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： C32H14F4[N+]2O11[O-]2S2
Molecular formula furigana： C32-H14-F4-N2-O13-S2
Molecular weight： 774.580
InChI： InChI=1S/C32H14F4N2O13S2/c33-23-13-21-27(25(35)29(23)50-52(44,45)17-9-5-15(6-10-17)37(40)41)48-28-22(32(21)20-4-2-1-3-19(20)31(39)49-32)14-24(34)30(26(28)36)51-53(46,47)18-11-7-16(8-12-18)38(42)43/h1-14H
InChI key： RSSMFPILYUFAEB-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Oc1c(F)cc2c(Oc3c(F)c(OS(=O)(=O)c4ccc(cc4)[N+](=O)[O-])c(F)cc3C32OC(=O)c2ccccc32)c1F
Systematic name  (3)：
  • ビス(4-ニトロベンゼンスルホン酸)2,4,5,7-テトラフルオロ-3′-オキソスピロ[9H-キサンテン-9,1′(3′H)-イソベンゾフラン]-3,6-ジイル
  • 2',4',5',7'-テトラフルオロ-6'-[(4-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 4-ニトロベンゼン-1-スルホナート
  • 2',4',5',7'-tetrafluoro-6'-[(4-nitrobenzenesulfonyl)oxy]-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-3'-yl 4-nitrobenzene-1-sulfonate
Other name (1)：
  • Bis(4-nitrobenzenesulfonic acid)2,4,5,7-tetrafluoro-3′-oxospiro[9H-xanthene-9,1′(3′H)-isobenzofuran]-3,6-diyl ester
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