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
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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:
C21 H10 F2 O7
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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