Chem
J-GLOBAL ID：201607011310316641   Nikkaji number：J3.516.827C

2-[4-[3-[1-(2H3)Methyl-(2,2,2-2H3)ethyl]-4-hydroxybenzyl]-3,5-dimethylphenoxy]acetic acid

2-[4-[3-[1-(2H3)メチル-(2,2,2-2H3)エチル]-4-ヒドロキシベンジル]-3,5-ジメチルフェノキシ]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： C20H18[2H]6O4
Molecular formula furigana： C20-H24-O4
Molecular weight： 334.445
InChI： InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)/i1D3,2D3
InChI key： QNAZTOHXCZPOSA-WFGJKAKNSA-N
SMILES： C([2H])([2H])([2H])C(c1cc(Cc2c(C)cc(OCC(=O)O)cc2C)ccc1O)C([2H])([2H])[2H]
Systematic name  (3)：
  • 2-[4-[3-[1-(2H3)メチル-(2,2,2-2H3)エチル]-4-ヒドロキシベンジル]-3,5-ジメチルフェノキシ]酢酸
  • 2-[4-({4-ヒドロキシ-3-[(1,1,1,3,3,3-2H6)プロパン-2-イル]フェニル}メチル)-3,5-ジメチルフェノキシ]酢酸
  • 2-[4-({4-hydroxy-3-[(1,1,1,3,3,3-2H6)propan-2-yl]phenyl}methyl)-3,5-dimethylphenoxy]acetic acid
Other name (1)：
  • 2-[4-[3-[1-(2H3)Methyl-(2,2,2-2H3)ethyl]-4-hydroxybenzyl]-3,5-dimethylphenoxy]acetic acid
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