Chem
J-GLOBAL ID：200907003171497441   Nikkaji number：J2.173.278H

BES-So

2-[2,4,5,7-テトラフルオロ-6-(2-ニトロ-4,5-ジメトキシフェニルスルホニルオキシ)-3-オキソ-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： C28H15F4[N+]O10[O-]S
Molecular formula furigana： C28-H15-F4-N-O11-S
Molecular weight： 649.480
InChI： InChI=1S/C28H15F4NO11S/c1-41-18-9-17(33(37)38)20(10-19(18)42-2)45(39,40)44-27-16(30)8-14-21(11-5-3-4-6-12(11)28(35)36)13-7-15(29)24(34)22(31)25(13)43-26(14)23(27)32/h3-10H,1-2H3,(H,35,36)
InChI key： SNTCYKDOBVXFPB-UHFFFAOYSA-N
SMILES： COc1cc(c(cc1OC)S(=O)(=O)Oc1c(F)cc2c(c3ccccc3C(=O)O)c3cc(F)c(=O)c(F)c3oc2c1F)[N+](=O)[O-]
Systematic name  (4)：
  • 2-[2,4,5,7-テトラフルオロ-6-(2-ニトロ-4,5-ジメトキシフェニルスルホニルオキシ)-3-オキソ-3H-キサンテン-9-イル]安息香酸
  • 2-[2,4,5,7-テトラフルオロ-3-オキソ-6-[(2-ニトロ-4,5-ジメトキシフェニル)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-ジメトキシ-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-dimethoxy-2-nitrobenzenesulfonyl)oxy]-2,4,5,7-tetrafluoro-3-oxo-3H-xanthen-9-yl}benzoic acid
Other name (3)：
  • 2-[2,4,5,7-Tetrafluoro-6-(2-nitro-4,5-dimethoxyphenylsulfonyloxy)-3-oxo-3H-xanthene-9-yl]benzoic acid
  • 2-[2,4,5,7-Tetrafluoro-3-oxo-6-[(2-nitro-4,5-dimethoxyphenyl)sulfonyloxy]-3H-xanthene-9-yl]benzoic acid
  • BES-So
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