Chem
J-GLOBAL ID：200907070418656474
Nikkaji number：J825.857K
Cyclohexane-1α,2β-diol 1-benzoate
安息香酸2β-ヒドロキシシクロヘキサン-1α-イル
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： C13H16O3
Molecular formula furigana： C13-H16-O3
Molecular weight： 220.268
InChI：
InChI=1S/C13H16O3/c14-11-8-4-5-9-12(11)16-13(15)10-6-2-1-3-7-10/h1-3,6-7,11-12,14H,4-5,8-9H2/t11-,12-/m0/s1
InChI key：
CIBMJUAZBFVYAB-RYUDHWBXSA-N
SMILES：
O[C@H]1CCCC[C@@H]1OC(=O)c1ccccc1
Systematic name (9)：
- 安息香酸2β-ヒドロキシシクロヘキサン-1α-イル
- シクロヘキサン-1α,2β-ジオール1-ベンゾアート
- (1S)-シクロヘキサン-1α,2β-ジオール1-ベンゾアート
- (1S,2S)-シクロヘキサン-1,2-ジオール1-ベンゾアート
- (1S)-2β-(ベンゾイルオキシ)シクロヘキサン-1α-オール
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- Benzoic acid 2β-hydroxycyclohexan-1α-yl ester
- Cyclohexane-1α,2β-diol 1-benzoate
- (1S)-Cyclohexane-1α,2β-diol 1-benzoate
- (1S,2S)-Cyclohexane-1,2-diol 1-benzoate
- (1S)-2β-(Benzoyloxy)cyclohexane-1α-ol
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