CHEBI:133090 - o-cresol sulfate

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ChEBI Name o-cresol sulfate
ChEBI ID CHEBI:133090
ChEBI ASCII Name o-cresol sulfate
Definition A phenyl sulfate oxoanion that is the conjugate base of o-cresol hydrogen sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C7H7O4S
Net Charge -1
Average Mass 187.194
Monoisotopic Mass 187.00705
InChI InChI=1S/C7H8O4S/c1-6-4-2-3-5-7(6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10)/p-1
InChIKey CYGSXDXRHXMAOV-UHFFFAOYSA-M
SMILES C=1C=CC=C(C1C)OS([O-])(=O)=O
ChEBI Ontology
Outgoing o-cresol sulfate (CHEBI:133090) is a phenyl sulfate oxoanion (CHEBI:140317)
o-cresol sulfate (CHEBI:133090) is conjugate base of o-cresol hydrogen sulfate (CHEBI:133089)
Incoming o-cresol hydrogen sulfate (CHEBI:133089) is conjugate acid of o-cresol sulfate (CHEBI:133090)
IUPAC Name
2-methylphenyl sulfate
Last Modified
04 April 2018