Chem
J-GLOBAL ID：200907010212225008   Nikkaji number：J902.951F

4-(2,7-Difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)isophthalic acid

4-(2,7-ジフルオロ-6-ヒドロキシ-3-オキソ-3H-キサンテン-9-イル)イソフタル酸
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： C21H10F2O7
Molecular formula furigana： C21-H10-F2-O7
Molecular weight： 412.301
InChI： InChI=1S/C21H10F2O7/c22-13-4-11-17(6-15(13)24)30-18-7-16(25)14(23)5-12(18)19(11)9-2-1-8(20(26)27)3-10(9)21(28)29/h1-7,24H,(H,26,27)(H,28,29)
InChI key： BRJCLSQFZSHLRL-UHFFFAOYSA-N
SMILES： OC(=O)c1ccc(c(c1)C(=O)O)c1c2cc(F)c(O)cc2oc2cc(=O)c(F)cc12
Systematic name  (3)：
  • 4-(2,7-ジフルオロ-6-ヒドロキシ-3-オキソ-3H-キサンテン-9-イル)イソフタル酸
  • 4-(2,7-ジフルオロ-6-ヒドロキシ-3-オキソ-3H-キサンテン-9-イル)ベンゼン-1,3-ジカルボン酸
  • 4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzene-1,3-dicarboxylic acid
Other name (1)：
  • 4-(2,7-Difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)isophthalic acid
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