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CHEBI:133706 - propyl 4-hydroxybenzoate sulfate

ChEBI IDCHEBI:133706
ChEBI Namepropyl 4-hydroxybenzoate sulfate
Stars
DefinitionA benzoate ester that is propyl 4-hydroxybenzoate in which the phenolic hydrogen has been replaced by a sulfo group.
Last Modified10 October 2016
SubmitterSteve
DownloadsMolfile
FormulaC10H12O6S
Net Charge0
Average Mass260.267
Monoisotopic Mass260.03546
SMILESCCCOC(=O)c1ccc(OS(=O)(=O)O)cc1
InChIInChI=1S/C10H12O6S/c1-2-7-15-10(11)8-3-5-9(6-4-8)16-17(12,13)14/h3-6H,2,7H2,1H3,(H,12,13,14)
InChIKeyWEKBGFBWJOHXKR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
propyl 4-hydroxybenzoate sulfate (CHEBI:133706) has functional parent 4-hydroxybenzoic acid (CHEBI:30763)
propyl 4-hydroxybenzoate sulfate (CHEBI:133706) is a aryl sulfate (CHEBI:37919)
propyl 4-hydroxybenzoate sulfate (CHEBI:133706) is a benzoate ester (CHEBI:36054)
propyl 4-hydroxybenzoate sulfate (CHEBI:133706) is conjugate acid of propyl 4-hydroxybenzoate sulfate(1−) (CHEBI:133707)
Incoming Relation(s)
propyl 4-hydroxybenzoate sulfate(1−) (CHEBI:133707) is conjugate base of propyl 4-hydroxybenzoate sulfate (CHEBI:133706)
IUPAC Name 
propyl 4-(sulfooxy)benzoate
Synonyms  Source
propyl paraben sulfateChEBI
propyl p-hydroxybenzoate sulfateChEBI
propyl 4-sulfooxybenzoateChEBI
propylparaben sulfateChEBI
propyl para-hydroxybenzoate sulfateChEBI