EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:133546 - 4-vinylguaiacol sulfate(1−)

ChEBI IDCHEBI:133546
ChEBI Name4-vinylguaiacol sulfate(1−)
Stars
ASCII Name4-vinylguaiacol sulfate(1-)
DefinitionA phenyl sulfate oxoanion that is the conjugate base of 4-vinylguaiacol sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
Last Modified4 April 2018
SubmitterSteve
DownloadsMolfile
FormulaC9H9O5S
Net Charge-1
Average Mass229.233
Monoisotopic Mass229.01762
SMILESC=Cc1ccc(OS(=O)(=O)[O-])c(OC)c1
InChIInChI=1S/C9H10O5S/c1-3-7-4-5-8(9(6-7)13-2)14-15(10,11)12/h3-6H,1H2,2H3,(H,10,11,12)/p-1
InChIKeyFKCHAXAGQVCJPN-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-vinylguaiacol sulfate(1−) (CHEBI:133546) is a phenyl sulfate oxoanion (CHEBI:140317)
4-vinylguaiacol sulfate(1−) (CHEBI:133546) is conjugate base of 4-vinylguaiacol sulfate (CHEBI:133544)
Incoming Relation(s)
4-vinylguaiacol sulfate (CHEBI:133544) is conjugate acid of 4-vinylguaiacol sulfate(1−) (CHEBI:133546)
IUPAC Name 
4-ethenyl-2-methoxyphenyl sulfate
Synonym  Source
2-methoxy-4-vinylphenyl sulfateChEBI