Chem
J-GLOBAL ID：200907091369310530   Nikkaji number：J54.506F

3-Nitrobenzenesulfonic acid

3-ニトロベンゼンスルホン酸
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： C6H5[N+]O4[O-]S
Molecular formula furigana： C6-H5-N-O5-S
Molecular weight： 203.170
InChI： InChI=1S/C6H5NO5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,10,11,12)
InChI key： ONMOULMPIIOVTQ-UHFFFAOYSA-N
SMILES： OS(=O)(=O)c1cccc(c1)[N+](=O)[O-]
Systematic name  (4)：
  • m-ニトロベンゼンスルホン酸
  • 3-ニトロベンゼンスルホン酸
  • 3-ニトロベンゼン-1-スルホン酸
  • 3-nitrobenzene-1-sulfonic acid
Other name (2)：
  • 3-Nitrobenzenesulfonic acid
  • m-Nitrobenzenesulfonic acid
CAS registry number： 98-47-5
Regulation number (4)：
  • DB7190000
  • (3)-2005
  • EINECS2026717
  • TSCA(98-47-5)
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