Chem
J-GLOBAL ID：200907060211770743
Nikkaji number：J462.976K
(S)-Butane-1,2-diol 1-benzoate
安息香酸(S)-2-ヒドロキシブチル
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
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
Molecular formula： C11H14O3
Molecular formula furigana： C11-H14-O3
Molecular weight： 194.230
InChI：
InChI=1S/C11H14O3/c1-2-10(12)8-14-11(13)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3/t10-/m0/s1
InChI key：
ZUGADGDFODHNMC-JTQLQIEISA-N
SMILES：
CC[C@H](O)COC(=O)c1ccccc1
Systematic name (5)：
- 安息香酸(2S)-2-ヒドロキシブチル
- (S)-ブタン-1,2-ジオール1-ベンゾアート
- 安息香酸(S)-2-ヒドロキシブチル
- (2S)-2-ヒドロキシブチル ベンゾアート
- (2S)-2-hydroxybutyl benzoate
- Benzoic acid (2S)-2-hydroxybutyl ester
- (S)-Butane-1,2-diol 1-benzoate
- Benzoic acid (S)-2-hydroxybutyl ester
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