Chem
J-GLOBAL ID：200907096788818480   Nikkaji number：J2.101.796E

p-Toluenesulfonic acid 1-(3-nitrophenyl)ethyl ester

p-トルエンスルホン酸1-(3-ニトロフェニル)エチル
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： C15H15[N+]O4[O-]S
Molecular formula furigana： C15-H15-N-O5-S
Molecular weight： 321.350
InChI： InChI=1S/C15H15NO5S/c1-11-6-8-15(9-7-11)22(19,20)21-12(2)13-4-3-5-14(10-13)16(17)18/h3-10,12H,1-2H3
InChI key： JXTQWVDJKIWWHJ-UHFFFAOYSA-N
SMILES： CC(OS(=O)(=O)c1ccc(C)cc1)c1cccc(c1)[N+](=O)[O-]
Systematic name  (4)：
  • p-トルエンスルホン酸1-(3-ニトロフェニル)エチル
  • 4-メチルベンゼンスルホン酸1-(3-ニトロフェニル)エチル
  • 1-(3-ニトロフェニル)エチル 4-メチルベンゼン-1-スルホナート
  • 1-(3-nitrophenyl)ethyl 4-methylbenzene-1-sulfonate
Other name (2)：
  • p-Toluenesulfonic acid 1-(3-nitrophenyl)ethyl ester
  • 4-Methylbenzenesulfonic acid 1-(3-nitrophenyl)ethyl ester
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