Chem
J-GLOBAL ID：200907054504468332   Nikkaji number：J463.001G

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

4-ブロモ安息香酸(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： C14H19BrO3
Molecular formula furigana： C14-H19-BR-O3
Molecular weight： 315.207
InChI： InChI=1S/C14H19BrO3/c1-2-3-4-5-13(16)10-18-14(17)11-6-8-12(15)9-7-11/h6-9,13,16H,2-5,10H2,1H3/t13-/m0/s1
InChI key： NTWFSUBPMJAPQD-ZDUSSCGKSA-N
SMILES： CCCCC[C@H](O)COC(=O)c1ccc(Br)cc1
Systematic name  (3)：
  • 4-ブロモ安息香酸(2S)-2-ヒドロキシヘプチル
  • (2S)-2-ヒドロキシヘプチル 4-ブロモベンゾアート
  • (2S)-2-hydroxyheptyl 4-bromobenzoate
Other name (1)：
  • 4-Bromobenzoic acid (2S)-2-hydroxyheptyl ester
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