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CHEBI:67120 - 4-nitrotoluene-2-sulfonic acid

ChEBI IDCHEBI:67120
ChEBI Name4-nitrotoluene-2-sulfonic acid
Stars
DefinitionThe arenesulfonic acid that is toluene-2-sulfonic acid bearing a nitro substituent at C-4.
Last Modified13 August 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7H7NO5S
Net Charge0
Average Mass217.202
Monoisotopic Mass217.00449
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)O
InChIInChI=1S/C7H7NO5S/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13/h2-4H,1H3,(H,11,12,13)
InChIKeyZDTXQHVBLWYPHS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-nitrotoluene-2-sulfonic acid (CHEBI:67120) is a C-nitro compound (CHEBI:35716)
4-nitrotoluene-2-sulfonic acid (CHEBI:67120) is a arenesulfonic acid (CHEBI:33555)
IUPAC Name 
2-methyl-5-nitrobenzenesulfonic acid
Synonyms  Source
p-nitrotoluol-o-sulfonic acidChEBI
5-Nitro-o-toluenesulfonic acidChemIDplus
5-Nitro-2-methylbenzenesulfonic acidChemIDplus
p-Nitrotoluene-o-sulfonic acidChemIDplus
4-Nitro-2-toluenesulfonic acidChemIDplus
5-nitro-2-methylbenzenesulphonic acidChEBI
Registry NumbersSources
Reaxys:2216176Reaxys
CAS:121-03-9ChemIDplus
Citations