Chem
J-GLOBAL ID：200907062209349316   Nikkaji number：J2.457.061D

1-[[(18O2)Tosyl](16O)oxy]-1-(3-nitrophenyl)ethane

1-[[(18O2)トシル](16O)オキシ]-1-(3-ニトロフェニル)エタン
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+]O[O-][16O][18O]2S
Molecular formula furigana： C15-H15-N-O5-S
Molecular weight： 325.340
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+2,21+0
InChI key： JXTQWVDJKIWWHJ-YFCMVATNSA-N
SMILES： CC([16O]S(=[18O])(=[18O])c1ccc(C)cc1)c1cccc(c1)[N+](=O)[O-]
Systematic name  (3)：
  • 1-[[(18O2)トシル](16O)オキシ]-1-(3-ニトロフェニル)エタン
  • 1-(3-ニトロフェニル)エチル 4-メチルベンゼン-1-(16O1,18O2)スルホナート
  • 1-(3-nitrophenyl)ethyl 4-methylbenzene-1-(16O1,18O2)sulfonate
Other name (1)：
  • 1-[[(18O2)Tosyl](16O)oxy]-1-(3-nitrophenyl)ethane
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