Chem
J-GLOBAL ID：200907097166663788   Nikkaji number：J2.455.449J

2-[2,4,5,7-Tetrafluoro-3-oxo-6-[(2-nitro-4,6-dimethylphenyl)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-4,6-ジメチルフェニル)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： C28H15F4[N+]O8[O-]S
Molecular formula furigana： C28-H15-F4-N-O9-S
Molecular weight： 617.480
InChI： InChI=1S/C28H15F4NO9S/c1-11-7-12(2)27(19(8-11)33(37)38)43(39,40)42-26-18(30)10-16-20(13-5-3-4-6-14(13)28(35)36)15-9-17(29)23(34)21(31)24(15)41-25(16)22(26)32/h3-10H,1-2H3,(H,35,36)
InChI key： GBSZAWBUWYAQLK-UHFFFAOYSA-N
SMILES： Cc1cc(C)c(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-4,6-ジメチルフェニル)スルホニルオキシ]-3H-キサンテン-9-イル]安息香酸
  • 2-{6-[(2,4-ジメチル-6-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-[(2,4-dimethyl-6-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-4,6-dimethylphenyl)sulfonyloxy]-3H-xanthene-9-yl]benzoic acid
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