Chem
J-GLOBAL ID：200907023863455561   Nikkaji number：J2.020.096K

3-Chloro-4-[3-(2-propyl-3-hydroxy-4-propionylphenoxy)propylthio]benzeneacetic acid

3-クロロ-4-[3-(2-プロピル-3-ヒドロキシ-4-プロピオニルフェノキシ)プロピルチオ]ベンゼン酢酸
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： C23H27ClO5S
Molecular formula furigana： C23-H27-CL-O5-S
Molecular weight： 450.970
InChI： InChI=1S/C23H27ClO5S/c1-3-6-17-20(9-8-16(23(17)28)19(25)4-2)29-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13,28H,3-6,11-12,14H2,1-2H3,(H,26,27)
InChI key： MMUPKVYIRSGJIV-UHFFFAOYSA-N
SMILES： CCCc1c(O)c(ccc1OCCCSc1ccc(CC(=O)O)cc1Cl)C(=O)CC
Systematic name  (3)：
  • 3-クロロ-4-[3-(2-プロピル-3-ヒドロキシ-4-プロピオニルフェノキシ)プロピルチオ]ベンゼン酢酸
  • 2-(3-クロロ-4-{[3-(3-ヒドロキシ-4-プロパノイル-2-プロピルフェノキシ)プロピル]スルファニル}フェニル)酢酸
  • 2-(3-chloro-4-{[3-(3-hydroxy-4-propanoyl-2-propylphenoxy)propyl]sulfanyl}phenyl)acetic acid
Other name (1)：
  • 3-Chloro-4-[3-(2-propyl-3-hydroxy-4-propionylphenoxy)propylthio]benzeneacetic acid
Thsaurus map：
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