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CHEBI:133532 - methyl-4-hydroxybenzoate O-sulfate

ChEBI IDCHEBI:133532
ChEBI Namemethyl-4-hydroxybenzoate O-sulfate
Stars
ASCII Namemethyl-4-hydroxybenzoate O-sulfate
DefinitionA benzoate ester that is methyl-4-hydroxybenzoate in which the phenolic hydrogen has been replaced by a sulfo group.
Last Modified30 September 2016
SubmitterSteve
DownloadsMolfile
FormulaC8H8O6S
Net Charge0
Average Mass232.213
Monoisotopic Mass232.00416
SMILESCOC(=O)c1ccc(OS(=O)(=O)O)cc1
InChIInChI=1S/C8H8O6S/c1-13-8(9)6-2-4-7(5-3-6)14-15(10,11)12/h2-5H,1H3,(H,10,11,12)
InChIKeyIBEAHXYYSZWGED-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl-4-hydroxybenzoate O-sulfate (CHEBI:133532) has functional parent 4-hydroxybenzoic acid (CHEBI:30763)
methyl-4-hydroxybenzoate O-sulfate (CHEBI:133532) is a aryl sulfate (CHEBI:37919)
methyl-4-hydroxybenzoate O-sulfate (CHEBI:133532) is a benzoate ester (CHEBI:36054)
methyl-4-hydroxybenzoate O-sulfate (CHEBI:133532) is a methyl ester (CHEBI:25248)
methyl-4-hydroxybenzoate O-sulfate (CHEBI:133532) is conjugate acid of methyl-4-hydroxybenzoate O-sulfate(1−) (CHEBI:133533)
Incoming Relation(s)
methyl-4-hydroxybenzoate O-sulfate(1−) (CHEBI:133533) is conjugate base of methyl-4-hydroxybenzoate O-sulfate (CHEBI:133532)
IUPAC Name 
methyl 4-(sulfooxy)benzoate
Synonym  Source
methyl-4-hydroxybenzoate sulfateChEBI