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CHEBI:133226 - 4-acetylphenyl hydrogen sulfate

ChEBI IDCHEBI:133226
ChEBI Name4-acetylphenyl hydrogen sulfate
Stars
DefinitionAn aryl sulfate that is 4-acetylphenol in which the phenolic hydrogen has been replaced by a sulfo group.
Last Modified9 September 2016
SubmitterSteve
DownloadsMolfile
FormulaC8H8O5S
Net Charge0
Average Mass216.214
Monoisotopic Mass216.00924
SMILESCC(=O)c1ccc(OS(=O)(=O)O)cc1
InChIInChI=1S/C8H8O5S/c1-6(9)7-2-4-8(5-3-7)13-14(10,11)12/h2-5H,1H3,(H,10,11,12)
InChIKeyHOFGLAYWQRGTKC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-acetylphenyl hydrogen sulfate (CHEBI:133226) has functional parent 4'-hydroxyacetophenone (CHEBI:28032)
4-acetylphenyl hydrogen sulfate (CHEBI:133226) is a acetophenones (CHEBI:22187)
4-acetylphenyl hydrogen sulfate (CHEBI:133226) is a aryl sulfate (CHEBI:37919)
4-acetylphenyl hydrogen sulfate (CHEBI:133226) is conjugate acid of 4-acetylphenyl sulfate (CHEBI:133225)
Incoming Relation(s)
4-acetylphenyl sulfate (CHEBI:133225) is conjugate base of 4-acetylphenyl hydrogen sulfate (CHEBI:133226)
IUPAC Name 
4-acetylphenyl hydrogen sulfate
Synonyms  Source
4-acetylphenol hydrogen sulfateChEBI
p-acetylphenyl hydrogen sulfateChEBI
p-acetylphenyl sulfateChEBI
4-acetylphenol sulfateChEBI
p-acetylphenol sulfateChEBI
4-acetylphenyl sulfateChEBI
Registry NumbersSources
Reaxys:1967323Reaxys