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CHEBI:133704 - ethyl 4-hydroxybenzoate sulfate

ChEBI IDCHEBI:133704
ChEBI Nameethyl 4-hydroxybenzoate sulfate
Stars
DefinitionA benzoate ester that is ethyl 4-hydroxybenzoate in which the phenolic hydrogen has been replaced by a sulfo group.
Last Modified10 October 2016
SubmitterSteve
DownloadsMolfile
FormulaC9H10O6S
Net Charge0
Average Mass246.240
Monoisotopic Mass246.01981
SMILESCCOC(=O)c1ccc(OS(=O)(=O)O)cc1
InChIInChI=1S/C9H10O6S/c1-2-14-9(10)7-3-5-8(6-4-7)15-16(11,12)13/h3-6H,2H2,1H3,(H,11,12,13)
InChIKeyLJXYMXIWXRFOHR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ethyl 4-hydroxybenzoate sulfate (CHEBI:133704) has functional parent 4-hydroxybenzoic acid (CHEBI:30763)
ethyl 4-hydroxybenzoate sulfate (CHEBI:133704) is a aryl sulfate (CHEBI:37919)
ethyl 4-hydroxybenzoate sulfate (CHEBI:133704) is a benzoate ester (CHEBI:36054)
ethyl 4-hydroxybenzoate sulfate (CHEBI:133704) is a ethyl ester (CHEBI:23990)
ethyl 4-hydroxybenzoate sulfate (CHEBI:133704) is conjugate acid of ethyl 4-hydroxybenzoate sulfate(1−) (CHEBI:133705)
Incoming Relation(s)
ethyl 4-hydroxybenzoate sulfate(1−) (CHEBI:133705) is conjugate base of ethyl 4-hydroxybenzoate sulfate (CHEBI:133704)
IUPAC Name 
ethyl 4-(sulfooxy)benzoate
Synonyms  Source
ethyl para-hydroxybenzoate sulfateChEBI
ethyl 4-sulfooxybenzoateChEBI
ethyl paraben sulfateChEBI
ethyl p-hydroxybenzoate sulfateChEBI
ethylparaben sulfateChEBI
Registry NumbersSources
Reaxys:2655724Reaxys