Chem
J-GLOBAL ID:200907049998930846   Nikkaji number:J1.637.256K

p-Toluenesulfonic acid 1-ethylpropyl ester

p-トルエンスルホン酸=1-エチルプロピル
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: C12H18O3S
Molecular formula furigana: C12-H18-O3-S
Molecular weight: 242.330
InChI: InChI=1S/C12H18O3S/c1-4-11(5-2)15-16(13,14)12-8-6-10(3)7-9-12/h6-9,11H,4-5H2,1-3H3
InChI key: SLMCDJBSBDYBAX-UHFFFAOYSA-N
SMILES: CCC(CC)OS(=O)(=O)c1ccc(C)cc1
Systematic name  (3):
  • p-トルエンスルホン酸1-エチルプロピル
  • ペンタン-3-イル 4-メチルベンゼン-1-スルホナート
  • pentan-3-yl 4-methylbenzene-1-sulfonate
Other name (2):
  • p-Toluenesulfonic acid 1-ethylpropyl ester
  • p-トルエンスルホン酸=1-エチルプロピル
Regulation number (1):
  • 4-(8)-211
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