Chem
J-GLOBAL ID：200907038850269553   Nikkaji number：J73.212E

4-(1,3-Benzoxathiol-2-yl)-α-methylbenzeneacetic acid

4-(1,3-ベンゾオキサチオール-2-イル)-α-メチルベンゼン酢酸
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： C16H14O3S
Molecular formula furigana： C16-H14-O3-S
Molecular weight： 286.350
InChI： InChI=1S/C16H14O3S/c1-10(15(17)18)11-6-8-12(9-7-11)16-19-13-4-2-3-5-14(13)20-16/h2-10,16H,1H3,(H,17,18)
InChI key： IGPHQHDMKZAZHP-UHFFFAOYSA-N
SMILES： CC(C(=O)O)c1ccc(cc1)C1Oc2ccccc2S1
Systematic name  (3)：
  • 4-(1,3-ベンゾオキサチオール-2-イル)-α-メチルベンゼン酢酸
  • 2-[4-(2H-1,3-ベンゾオキサチオール-2-イル)フェニル]プロパン酸
  • 2-[4-(2H-1,3-benzoxathiol-2-yl)phenyl]propanoic acid
Other name (1)：
  • 4-(1,3-Benzoxathiol-2-yl)-α-methylbenzeneacetic acid
CAS registry number： 52787-33-4
Regulation number (1)：
  • CY1575178
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