Chem
J-GLOBAL ID：200907078424881812   Nikkaji number：J462.998A

4-Methylbenzoic acid (2S)-2-hydroxyheptyl ester

4-メチル安息香酸(2S)-2-ヒドロキシヘプチル
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： C15H22O3
Molecular formula furigana： C15-H22-O3
Molecular weight： 250.338
InChI： InChI=1S/C15H22O3/c1-3-4-5-6-14(16)11-18-15(17)13-9-7-12(2)8-10-13/h7-10,14,16H,3-6,11H2,1-2H3/t14-/m0/s1
InChI key： JDQNXIDKGHCXBP-AWEZNQCLSA-N
SMILES： CCCCC[C@H](O)COC(=O)c1ccc(C)cc1
Systematic name  (3)：
  • 4-メチル安息香酸(2S)-2-ヒドロキシヘプチル
  • (2S)-2-ヒドロキシヘプチル 4-メチルベンゾアート
  • (2S)-2-hydroxyheptyl 4-methylbenzoate
Other name (1)：
  • 4-Methylbenzoic acid (2S)-2-hydroxyheptyl ester
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