Chem
J-GLOBAL ID：200907017848958263   Nikkaji number：J1.608.749A

4-Methylhexane-1,3,6-triol 1-benzoate

3,6-ジヒドロキシ-4-メチルヘキシル ベンゾアート
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： C14H20O4
Molecular formula furigana： C14-H20-O4
Molecular weight： 252.310
InChI： InChI=1S/C14H20O4/c1-11(7-9-15)13(16)8-10-18-14(17)12-5-3-2-4-6-12/h2-6,11,13,15-16H,7-10H2,1H3
InChI key： PSQIZYWAXDPXCO-UHFFFAOYSA-N
SMILES： CC(CCO)C(O)CCOC(=O)c1ccccc1
Systematic name  (3)：
  • 4-メチルヘキサン-1,3,6-トリオール1-ベンゾアート
  • 3,6-ジヒドロキシ-4-メチルヘキシル ベンゾアート
  • 3,6-dihydroxy-4-methylhexyl benzoate
Other name (1)：
  • 4-Methylhexane-1,3,6-triol 1-benzoate
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