Chem
J-GLOBAL ID：200907004172279827   Nikkaji number：J2.599.829D

IAA-94

[(2S)-1-オキソ-2β-メチル-2-シクロペンチル-6,7-ジクロロインダン-5-イル]オキシ酢酸
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： C17H18Cl2O4
Molecular formula furigana： C17-H18-CL2-O4
Molecular weight： 357.230
InChI： InChI=1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21)/t17-/m0/s1
InChI key： RNOJGTHBMJBOSP-KRWDZBQOSA-N
SMILES： C[C@]1(Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O)C1CCCC1
Systematic name  (3)：
  • [(2S)-1-オキソ-2β-メチル-2-シクロペンチル-6,7-ジクロロインダン-5-イル]オキシ酢酸
  • 2-{[(2S)-6,7-ジクロロ-2-シクロペンチル-2-メチル-1-オキソ-2,3-ジヒドロ-1H-インデン-5-イル]オキシ}酢酸
  • 2-{[(2S)-6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}acetic acid
Other name (2)：
  • [(2S)-1-Oxo-2β-methyl-2-cyclopentyl-6,7-dichloroindan-5-yl]oxyacetic acid
  • IAA-94
KEGG COMPOUND： C13703
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