Chem
J-GLOBAL ID：200907084958535472   Nikkaji number：J2.020.098G

3-Chloro-4-[3-(3-ethyl-7-propyl-1,2-benzisoxazole-6-yloxy)propylthio]benzeneacetic acid

3-クロロ-4-[3-(3-エチル-7-プロピル-1,2-ベンゾイソオキサゾール-6-イルオキシ)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： C23H26ClNO4S
Molecular formula furigana： C23-H26-CL-N-O4-S
Molecular weight： 447.970
InChI： InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27)
InChI key： LBEYMGDIPDOUKK-UHFFFAOYSA-N
SMILES： CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c(CC)noc12
Systematic name  (3)：
  • 3-クロロ-4-[3-(3-エチル-7-プロピル-1,2-ベンゾイソオキサゾール-6-イルオキシ)プロピルチオ]ベンゼン酢酸
  • 2-[3-クロロ-4-({3-[(3-エチル-7-プロピル-1,2-ベンゾオキサゾール-6-イル)オキシ]プロピル}スルファニル)フェニル]酢酸
  • 2-[3-chloro-4-({3-[(3-ethyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propyl}sulfanyl)phenyl]acetic acid
Other name (1)：
  • 3-Chloro-4-[3-(3-ethyl-7-propyl-1,2-benzisoxazole-6-yloxy)propylthio]benzeneacetic acid
Thsaurus map：
Thesaurus Map

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