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CHEBI:191380 - 2,4-dimethylphenyl hydrogen sulfate

ChEBI IDCHEBI:191380
ChEBI Name2,4-dimethylphenyl hydrogen sulfate
Stars
DefinitionAn aryl sulfate that is 2,4-xylenol in which the phenolic hydrogen has been replaced by a sulfo group.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(OS(=O)(=O)O)c(C)c1
InChIInChI=1S/C8H10O4S/c1-6-3-4-8(7(2)5-6)12-13(9,10)11/h3-5H,1-2H3,(H,9,10,11)
InChIKeyAPHMMCXRJZOPMO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,4-dimethylphenyl hydrogen sulfate (CHEBI:191380) has functional parent 2,4-xylenol (CHEBI:34241)
2,4-dimethylphenyl hydrogen sulfate (CHEBI:191380) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
2,4-dimethylphenyl hydrogen sulfate
Synonyms  Source
2,4-dimethylphenol sulfateChEBI
(2,4-dimethylphenyl) hydrogen sulfateChEBI
(2,4-dimethylphenyl)oxidanesulfonic acidIUPAC