EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:64455 - benzenesulfonic acid

ChEBI IDCHEBI:64455
ChEBI Namebenzenesulfonic acid
Stars
DefinitionThe simplest member of the class of a benzenesulfonic acids that consists of a benzene carrying a single sulfo group.
Last Modified20 October 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H6O3S
Net Charge0
Average Mass158.178
Monoisotopic Mass158.00377
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)
InChIKeySRSXLGNVWSONIS-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
benzenesulfonic acid (CHEBI:64455) is a benzenesulfonic acids (CHEBI:73942)
benzenesulfonic acid (CHEBI:64455) is conjugate acid of benzenesulfonate (CHEBI:64457)
Incoming Relation(s)
benzenesulfonate ester (CHEBI:83352) has functional parent benzenesulfonic acid (CHEBI:64455)
benzenesulfonate (CHEBI:64457) is conjugate base of benzenesulfonic acid (CHEBI:64455)
Synonyms  Source
Benzenemonosulfonic acidChemIDplus
Besylic acidChemIDplus
Benzenesulphonic acidChemIDplus
Phenylsulfonic acidChemIDplus
Benzene sulphonic acidChemIDplus
Manual XrefsDatabases
Benzenesulfonic acidWikipedia
Registry NumbersSources
Reaxys:742513Reaxys
CAS:98-11-3ChemIDplus