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CHEBI:27023 - toluene-4-sulfonate

ChEBI IDCHEBI:27023
ChEBI Nametoluene-4-sulfonate
Stars
DefinitionAn arenesulfonate oxoanion that is the conjugate base of toluene-4-sulfonic acid.
Last Modified10 November 2016
DownloadsMolfile
FormulaC7H7O3S
Net Charge-1
Average Mass171.197
Monoisotopic Mass171.01214
SMILESCc1ccc(S(=O)(=O)[O-])cc1
InChIInChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)/p-1
InChIKeyJOXIMZWYDAKGHI-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
toluene-4-sulfonate (CHEBI:27023) is a arenesulfonate oxoanion (CHEBI:22713)
toluene-4-sulfonate (CHEBI:27023) is conjugate base of toluene-4-sulfonic acid (CHEBI:27849)
Incoming Relation(s)
toluene-4-sulfonic acid (CHEBI:27849) is conjugate acid of toluene-4-sulfonate (CHEBI:27023)
IUPAC Name 
4-methylbenzenesulfonate
Synonyms  Source
4-toluenesulfonateUM-BBD
p-toluenesulfonateUM-BBD
toluene-4-sulfonateUM-BBD
4-toluene sulfonateChemIDplus
p-toluene sulfonateChemIDplus
4-methylbenzenesulfonic acid, ion(1−)ChemIDplus
UniProt Name  Source
toluene-4-sulfonateUniProt
Manual XrefsDatabases
c0301UM-BBD
Registry NumbersSources
Beilstein:1569490Beilstein
Gmelin:327129Gmelin
CAS:16722-51-3ChemIDplus