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CHEBI:53506 - 2,4,5-trinitrobenzenesulfonic acid

ChEBI IDCHEBI:53506
ChEBI Name2,4,5-trinitrobenzenesulfonic acid
Stars
DefinitionAn arenesulfonic acid that is benzene with a sulfo group at position 1 and three nitro substituents in the 2-, 4- and 5-positions.
Last Modified22 May 2013
SubmitterSteve
DownloadsMolfile
FormulaC6H3N3O9S
Net Charge0
Average Mass293.169
Monoisotopic Mass292.95900
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C6H3N3O9S/c10-7(11)3-1-5(9(14)15)6(19(16,17)18)2-4(3)8(12)13/h1-2H,(H,16,17,18)
InChIKeyHUPDIVYMUZMPMO-UHFFFAOYSA-N
Roles Classification
Biological Role:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
2,4,5-trinitrobenzenesulfonic acid (CHEBI:53506) has role hapten (CHEBI:59174)
2,4,5-trinitrobenzenesulfonic acid (CHEBI:53506) is a C-nitro compound (CHEBI:35716)
2,4,5-trinitrobenzenesulfonic acid (CHEBI:53506) is a arenesulfonic acid (CHEBI:33555)
IUPAC Name 
2,4,5-trinitrobenzenesulfonic acid
Synonyms  Source
2,4,5-TrinitrobenzolsulfonsäureChEBI
trinitrobenzenesulfonic acidChEBI
trinitrobenzene sulfonic acidChEBI
Registry NumbersSources
Reaxys:2775827Reaxys
Citations