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CHEBI:64457 - benzenesulfonate

ChEBI IDCHEBI:64457
ChEBI Namebenzenesulfonate
Stars
DefinitionThe simplest of the class of benzenesulfonates, in which the benzene nucleus carries no other substituents.
Last Modified1 May 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H5O3S
Net Charge-1
Average Mass157.170
Monoisotopic Mass156.99649
SMILESO=S(=O)([O-])c1ccccc1
InChIInChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)/p-1
InChIKeySRSXLGNVWSONIS-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
benzenesulfonate (CHEBI:64457) is a benzenesulfonates (CHEBI:53348)
benzenesulfonate (CHEBI:64457) is conjugate base of benzenesulfonic acid (CHEBI:64455)
Incoming Relation(s)
2-diazoniobenzenesulfonate (CHEBI:64452) has functional parent benzenesulfonate (CHEBI:64457)
3-diazoniobenzenesulfonate (CHEBI:64458) has functional parent benzenesulfonate (CHEBI:64457)
4-diazoniobenzenesulfonate (CHEBI:64460) has functional parent benzenesulfonate (CHEBI:64457)
benzenesulfonic acid (CHEBI:64455) is conjugate acid of benzenesulfonate (CHEBI:64457)
Synonyms  Source
benzenemonosulfonateChEBI
besylateChEBI
phenylsulfonateChEBI
Benzenesulfonic acid, ion(1-)ChemIDplus
Registry NumbersSources
Reaxys:1638927Reaxys
CAS:3198-32-1ChemIDplus