Chem
J-GLOBAL ID：200907064311192467
Nikkaji number：J841.128J
Cyclohexane-1β,2β-diol 1-benzoate
安息香酸2β-ヒドロキシシクロヘキサン-1β-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-NWDGAFQWSA-N
SMILES：
O[C@H]1CCCC[C@H]1OC(=O)c1ccccc1
Systematic name (10)：
- 安息香酸(1R)-2β-ヒドロキシシクロヘキサン-1β-イル
- シクロヘキサン-1β,2β-ジオール1-ベンゾアート
- (1S)-2α-(ベンゾイルオキシ)シクロヘキサン-1α-オール
- (1R,2S)-1β,2β-シクロヘキサンジオール1-ベンゾアート
- (1S,2R)-2-(ベンゾイルオキシ)シクロヘキサン-1-オール
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- Benzoic acid (1R)-2β-hydroxycyclohexane-1β-yl ester
- Cyclohexane-1β,2β-diol 1-benzoate
- (1S)-2α-(Benzoyloxy)cyclohexane-1α-ol
- (1R,2S)-1β,2β-Cyclohexanediol 1-benzoate
- (1S,2R)-2-(Benzoyloxy)cyclohexane-1-ol
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