EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:18312 - 4-(hydroxymethyl)benzenesulfonic acid

ChEBI IDCHEBI:18312
ChEBI Name4-(hydroxymethyl)benzenesulfonic acid
Stars
Secondary ChEBI IDsCHEBI:1937, CHEBI:20298
Last Modified13 April 2007
DownloadsMolfile
FormulaC7H8O4S
Net Charge0
Average Mass188.204
Monoisotopic Mass188.01433
SMILESO=S(=O)(O)c1ccc(CO)cc1
InChIInChI=1S/C7H8O4S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4,8H,5H2,(H,9,10,11)
InChIKeyVVQVMHASNBSOOC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(hydroxymethyl)benzenesulfonic acid (CHEBI:18312) is a arenesulfonic acid (CHEBI:33555)
4-(hydroxymethyl)benzenesulfonic acid (CHEBI:18312) is conjugate acid of 4-(hydroxymethyl)benzenesulfonate (CHEBI:11944)
Incoming Relation(s)
4-(hydroxymethyl)benzenesulfonate (CHEBI:11944) is conjugate base of 4-(hydroxymethyl)benzenesulfonic acid (CHEBI:18312)
IUPAC Name 
4-(hydroxymethyl)benzenesulfonic acid
Synonyms  Source
4-Sulfobenzyl alcoholKEGG COMPOUND
4-(Hydroxymethyl)benzenesulfonateKEGG COMPOUND
Manual XrefsDatabases
C06678KEGG COMPOUND
Registry NumbersSources
Gmelin:561215Gmelin
Beilstein:3605659Beilstein