Chem
J-GLOBAL ID：200907034523924810   Nikkaji number：J462.989B

Benzenesulfonic acid (2S)-2-hydroxyheptyl ester

ベンゼンスルホン酸(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： C13H20O4S
Molecular formula furigana： C13-H20-O4-S
Molecular weight： 272.360
InChI： InChI=1S/C13H20O4S/c1-2-3-5-8-12(14)11-17-18(15,16)13-9-6-4-7-10-13/h4,6-7,9-10,12,14H,2-3,5,8,11H2,1H3/t12-/m0/s1
InChI key： JDHUJFKSDBXIPG-LBPRGKRZSA-N
SMILES： CCCCC[C@H](O)COS(=O)(=O)c1ccccc1
Systematic name  (3)：
  • ベンゼンスルホン酸(2S)-2-ヒドロキシヘプチル
  • (2S)-1-[(ベンゼンスルホニル)オキシ]ヘプタン-2-オール
  • (2S)-1-[(benzenesulfonyl)oxy]heptan-2-ol
Other name (1)：
  • Benzenesulfonic acid (2S)-2-hydroxyheptyl ester
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