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CHEBI:183857 - 3-Nitrobenzene sulphonate

ChEBI IDCHEBI:183857
ChEBI Name3-Nitrobenzene sulphonate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H4NO5S
Net Charge-1
Average Mass202.167
Monoisotopic Mass201.98157
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)[O-])c1
InChIInChI=1S/C6H5NO5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,10,11,12)/p-1
InChIKeyONMOULMPIIOVTQ-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3487) Strain: C57BL [EFO:0005181]
ChEBI Ontology
Outgoing Relation(s)
3-Nitrobenzene sulphonate (CHEBI:183857) is a organosulfur compound (CHEBI:33261)
3-Nitrobenzene sulphonate (CHEBI:183857) is a sulfonic acid derivative (CHEBI:33552)
IUPAC Name 
3-nitrobenzenesulonate
Manual XrefsDatabases
3130106ChemSpider