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CHEBI:191382 - 2,5-dimethylphenyl hydrogen sulfate

ChEBI IDCHEBI:191382
ChEBI Name2,5-dimethylphenyl hydrogen sulfate
Stars
DefinitionAn aryl sulfate that is 2,5-xylenol in which the phenolic hydrogen has been replaced by a sulfo group.
Last Modified6 May 2022
Submittermwilliams
DownloadsMolfile
FormulaC8H10O4S
Net Charge0
Average Mass202.231
Monoisotopic Mass202.02998
SMILESCc1ccc(C)c(OS(=O)(=O)O)c1
InChIInChI=1S/C8H10O4S/c1-6-3-4-7(2)8(5-6)12-13(9,10)11/h3-5H,1-2H3,(H,9,10,11)
InChIKeyCLCCTVXAPVYLKM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,5-dimethylphenyl hydrogen sulfate (CHEBI:191382) has functional parent 2,5-xylenol (CHEBI:191381)
2,5-dimethylphenyl hydrogen sulfate (CHEBI:191382) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
2,5-dimethylphenyl hydrogen sulfate
Synonyms  Source
2,5-dimethylphenol sulfateChEBI
(2,5-dimethylphenyl)oxidanesulfonic acidIUPAC