Chem
J-GLOBAL ID：200907094225181459   Nikkaji number：J2.455.444I

2-[2,4,5,7-Tetrafluoro-3-oxo-6-[(2-nitro-4-methoxyphenyl)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-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
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： C27H13F4[N+]O9[O-]S
Molecular formula furigana： C27-H13-F4-N-O10-S
Molecular weight： 619.450
InChI： InChI=1S/C27H13F4NO10S/c1-40-11-6-7-19(18(8-11)32(36)37)43(38,39)42-26-17(29)10-15-20(12-4-2-3-5-13(12)27(34)35)14-9-16(28)23(33)21(30)24(14)41-25(15)22(26)31/h2-10H,1H3,(H,34,35)
InChI key： TZLJFYTWGRPLIC-UHFFFAOYSA-N
SMILES： COc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)Oc1c(F)cc2c(c3ccccc3C(=O)O)c3cc(F)c(=O)c(F)c3oc2c1F
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-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-{2,4,5,7-テトラフルオロ-6-[(4-メトキシ-2-ニトロベンゼンスルホニル)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-tetrafluoro-6-[(4-methoxy-2-nitrobenzenesulfonyl)oxy]-3-oxo-3H-xanthen-9-yl}benzoic acid
Other name (1)：
  • 2-[2,4,5,7-Tetrafluoro-3-oxo-6-[(2-nitro-4-methoxyphenyl)sulfonyloxy]-3H-xanthene-9-yl]benzoic acid
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