Chem
J-GLOBAL ID：200907050369498735   Nikkaji number：J2.179.035D

4-[1-(3-Nitrophenyl)ethoxy(18O2)sulfonyl]toluene

4-[1-(3-ニトロフェニル)エトキシ(18O2)スルホニル]トルエン
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+]O2[O-][18O]2S
Molecular formula furigana： C15-H15-N-O5-S
Molecular weight： 325.350
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/i19+2,20+2
InChI key： JXTQWVDJKIWWHJ-OTVBAXJOSA-N
SMILES： CC(OS(=[18O])(=[18O])c1ccc(C)cc1)c1cccc(c1)[N+](=O)[O-]
Systematic name  (1)：
  • 4-[1-(3-ニトロフェニル)エトキシ(18O2)スルホニル]トルエン
Other name (1)：
  • 4-[1-(3-Nitrophenyl)ethoxy(18O2)sulfonyl]toluene
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