Terminology Service for NFDI4Health
4-acetylphenyl hydrogen sulfate
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http://purl.obolibrary.org/obo/CHEBI_133226
An aryl sulfate that is 4-acetylphenol in which the phenolic hydrogen has been replaced by a sulfo group.
Term info
Label
4-acetylphenyl hydrogen sulfate
Synonyms
- 4-acetylphenyl hydrogen sulfate
Subsets
3_STAR
charge
0
formula
C8H8O5S
has obo namespace
chebi_ontology
has related synonym
4-acetylphenol hydrogen sulfate, p-acetylphenol sulfate, p-acetylphenyl hydrogen sulfate, p-acetylphenyl sulfate, 4-acetylphenyl sulfate, 4-acetylphenol sulfate
id
CHEBI:133226
inchi
InChI=1S/C8H8O5S/c1-6(9)7-2-4-8(5-3-7)13-14(10,11)12/h2-5H,1H3,(H,10,11,12)
inchikey
HOFGLAYWQRGTKC-UHFFFAOYSA-N
mass
216.213
monoisotopicmass
216.00924
smiles
C=1C(=CC=C(C1)OS(O)(=O)=O)C(=O)C
Term relations
Subclass of:
- acetophenones
- aryl sulfate
- is conjugate acid of some 4-acetylphenyl sulfate
- has functional parent some 4'-hydroxyacetophenone
Related from: