Chem
J-GLOBAL ID：201207067183023082
Nikkaji number：J3.084.518H
p-Toluenesulfonic acid (4-phenylbutane-2-yl) ester
p-トルエンスルホン酸(4-フェニルブタン-2-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： C17H20O3S
Molecular formula furigana： C17-H20-O3-S
Molecular weight： 304.400
InChI：
InChI=1S/C17H20O3S/c1-14-8-12-17(13-9-14)21(18,19)20-15(2)10-11-16-6-4-3-5-7-16/h3-9,12-13,15H,10-11H2,1-2H3
InChI key：
YMUYWFHTJAXJSS-UHFFFAOYSA-N
SMILES：
CC(CCc1ccccc1)OS(=O)(=O)c1ccc(C)cc1
Systematic name (4)：
- p-トルエンスルホン酸1-メチル-3-フェニルプロピル
- p-トルエンスルホン酸(4-フェニルブタン-2-イル)
- 4-フェニルブタン-2-イル 4-メチルベンゼン-1-スルホナート
- 4-phenylbutan-2-yl 4-methylbenzene-1-sulfonate
- p-Toluenesulfonic acid 1-methyl-3-phenylpropyl ester
- p-Toluenesulfonic acid (4-phenylbutane-2-yl) ester
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