Chem
J-GLOBAL ID：200907015018165764   Nikkaji number：J2.455.445G

2-[2,4,5,7-Tetrafluoro-3-oxo-6-[(2-nitro-4,5-diethoxyphenyl)sulfonyloxy]-3H-xanthene-9-yl]benzoic acid

2-[2,4,5,7-テトラフルオロ-3-オキソ-6-[(2-ニトロ-4,5-ジエトキシフェニル)スルホニルオキシ]-3H-キサンテン-9-イル]安息香酸
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： C30H19F4[N+]O10[O-]S
Molecular formula furigana： C30-H19-F4-N-O11-S
Molecular weight： 677.530
InChI： InChI=1S/C30H19F4NO11S/c1-3-43-20-11-19(35(39)40)22(12-21(20)44-4-2)47(41,42)46-29-18(32)10-16-23(13-7-5-6-8-14(13)30(37)38)15-9-17(31)26(36)24(33)27(15)45-28(16)25(29)34/h5-12H,3-4H2,1-2H3,(H,37,38)
InChI key： BCSFAFZJRUYLQK-UHFFFAOYSA-N
SMILES： CCOc1cc(c(cc1OCC)S(=O)(=O)Oc1c(F)cc2c(c3ccccc3C(=O)O)c3cc(F)c(=O)c(F)c3oc2c1F)[N+](=O)[O-]
Systematic name  (3)：
  • 2-[2,4,5,7-テトラフルオロ-3-オキソ-6-[(2-ニトロ-4,5-ジエトキシフェニル)スルホニルオキシ]-3H-キサンテン-9-イル]安息香酸
  • 2-{6-[(4,5-ジエトキシ-2-ニトロベンゼンスルホニル)オキシ]-2,4,5,7-テトラフルオロ-3-オキソ-3H-キサンテン-9-イル}安息香酸
  • 2-{6-[(4,5-diethoxy-2-nitrobenzenesulfonyl)oxy]-2,4,5,7-tetrafluoro-3-oxo-3H-xanthen-9-yl}benzoic acid
Other name (1)：
  • 2-[2,4,5,7-Tetrafluoro-3-oxo-6-[(2-nitro-4,5-diethoxyphenyl)sulfonyloxy]-3H-xanthene-9-yl]benzoic acid
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