Chem
J-GLOBAL ID:202107017443140650   Nikkaji number:J3.757.569K

4-[2-chloro-3-hydroxy-7-(10-methylanthracen-9-yl)-6-oxoxanthen-9-yl]benzene-1,3-dicarboxylic acid

4-[2-クロロ-3-ヒドロキシ-7-(10-メチルアントラセン-9-イル)-6-オキソキサンテン-9-イル]ベンゼン-1,3-ジカルボン酸
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: C36H21ClO7
Molecular formula furigana: C36-H21-CL-O7
Molecular weight: 601.010
InChI: InChI=1S/C36H21ClO7/c1-17-19-6-2-4-8-21(19)33(22-9-5-3-7-20(17)22)25-13-26-31(15-29(25)38)44-32-16-30(39)28(37)14-27(32)34(26)23-11-10-18(35(40)41)12-24(23)36(42)43/h2-16,39H,1H3,(H,40,41)(H,42,43)
InChI key: IJKYFFOTEJMGQZ-UHFFFAOYSA-N
SMILES: OC(=O)c1ccc(c(c1)C(=O)O)c1c2c(oc3cc(=O)c(cc13)c1c3ccccc3c(c3c1cccc3)C)cc(c(c2)Cl)O
Systematic name  (3):
  • 4-[2-(10-メチル-9-アントリル)-3-オキソ-6-ヒドロキシ-7-クロロ-3H-キサンテン-9-イル]イソフタル酸
  • 4-[7-クロロ-6-ヒドロキシ-2-(10-メチルアントラセン-9-イル)-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-[7-chloro-6-hydroxy-2-(10-methylanthracen-9-yl)-3-oxo-3H-xanthen-9-yl]benzene-1,3-dicarboxylic acid
Other name (2):
  • 4-[2-クロロ-3-ヒドロキシ-7-(10-メチルアントラセン-9-イル)-6-オキソキサンテン-9-イル]ベンゼン-1,3-ジカルボン酸
  • 4-[2-chloro-3-hydroxy-7-(10-methylanthracen-9-yl)-6-oxoxanthen-9-yl]benzene-1,3-dicarboxylic acid
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