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CHEBI:167171 - bisphenol A sulfate(1−)

ChEBI IDCHEBI:167171
ChEBI Namebisphenol A sulfate(1−)
Stars
ASCII Namebisphenol A sulfate(1-)
DefinitionA phenyl sulfate oxoanion that is the conjugate base of bisphenol A sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
Last Modified22 January 2021
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC15H15O5S
Net Charge-1
Average Mass307.347
Monoisotopic Mass307.06457
SMILESCC(C)(c1ccc(O)cc1)c1ccc(OS(=O)(=O)[O-])cc1
InChIInChI=1S/C15H16O5S/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(10-6-12)20-21(17,18)19/h3-10,16H,1-2H3,(H,17,18,19)/p-1
InChIKeyDOJJVTGTRZSDLJ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
bisphenol A sulfate(1−) (CHEBI:167171) is a phenyl sulfate oxoanion (CHEBI:140317)
bisphenol A sulfate(1−) (CHEBI:167171) is conjugate base of bisphenol A sulfate (CHEBI:167305)
Incoming Relation(s)
bisphenol A sulfate (CHEBI:167305) is conjugate acid of bisphenol A sulfate(1−) (CHEBI:167171)
IUPAC Name 
4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl sulfate
Synonyms  Source
bisphenol A monosulfate(1−)ChEBI
bisphenol A hydrogen sulfate(1−)ChEBI
UniProt Name  Source
bisphenyl A sulfateUniProt
Citations