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CHEBI:75492 - 5-bromo-4-chloro-3-indolyl sulfate

ChEBI IDCHEBI:75492
ChEBI Name5-bromo-4-chloro-3-indolyl sulfate
Stars
DefinitionAn aryl sulfate that is indoxyl sulfate in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively.
Last Modified6 September 2013
SubmitterSteve
DownloadsMolfile
FormulaC8H5BrClNO4S
Net Charge0
Average Mass326.555
Monoisotopic Mass324.88112
SMILESO=S(=O)(O)Oc1cnc2ccc(Br)c(Cl)c12
InChIInChI=1S/C8H5BrClNO4S/c9-4-1-2-5-7(8(4)10)6(3-11-5)15-16(12,13)14/h1-3,11H,(H,12,13,14)
InChIKeyKZKSBQXQOQUOQO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-bromo-4-chloro-3-indolyl sulfate (CHEBI:75492) has functional parent indoxyl (CHEBI:17840)
5-bromo-4-chloro-3-indolyl sulfate (CHEBI:75492) is a aryl sulfate (CHEBI:37919)
5-bromo-4-chloro-3-indolyl sulfate (CHEBI:75492) is a indoles (CHEBI:24828)
5-bromo-4-chloro-3-indolyl sulfate (CHEBI:75492) is a organobromine compound (CHEBI:37141)
5-bromo-4-chloro-3-indolyl sulfate (CHEBI:75492) is a organochlorine compound (CHEBI:36683)
IUPAC Name 
5-bromo-4-chloro-1H-indol-3-yl hydrogen sulfate
Synonym  Source
5-bromo-4-chloroindoxyl sulfateChEBI
Registry NumbersSources
Reaxys:1544133Reaxys