EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:133089 - o-cresol hydrogen sulfate

ChEBI IDCHEBI:133089
ChEBI Nameo-cresol hydrogen sulfate
Stars
ASCII Nameo-cresol hydrogen sulfate
DefinitionAn aryl sulfate that is o-cresol in which the phenolic hydrogen has been replaced by a sulfo group.
Last Modified19 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC7H8O4S
Net Charge0
Average Mass188.204
Monoisotopic Mass188.01433
SMILESCc1ccccc1OS(=O)(=O)O
InChIInChI=1S/C7H8O4S/c1-6-4-2-3-5-7(6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10)
InChIKeyCYGSXDXRHXMAOV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
o-cresol hydrogen sulfate (CHEBI:133089) has functional parent o-cresol (CHEBI:28054)
o-cresol hydrogen sulfate (CHEBI:133089) is a aryl sulfate (CHEBI:37919)
o-cresol hydrogen sulfate (CHEBI:133089) is conjugate acid of o-cresol sulfate (CHEBI:133090)
Incoming Relation(s)
o-cresol sulfate (CHEBI:133090) is conjugate base of o-cresol hydrogen sulfate (CHEBI:133089)
IUPAC Name 
2-methylphenyl hydrogen sulfate
Synonyms  Source
o-cresolsulfuric acidChEBI
o-cresol sulfateChEBI
o-Tolyl sulfateChemIDplus
(2-Methylphenyl) sulfateChemIDplus
Sulfuric acid, mono-o-tolyl esterChemIDplus
o-Methylphenyl sulfateChemIDplus
Registry NumbersSources
Reaxys:2098643Reaxys
CAS:3233-56-5ChemIDplus