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CHEBI:53069 - 2,4-dinitrobenzenesulfonate

ChEBI IDCHEBI:53069
ChEBI Name2,4-dinitrobenzenesulfonate
Stars
DefinitionThe arenesulfonate oxoanion that is benzenesulfonate anion with two nitro substituents in the 2- and 4-positions.
Last Modified14 May 2013
SubmitterSteve
DownloadsMolfile
FormulaC6H3N2O7S
Net Charge-1
Average Mass247.164
Monoisotopic Mass246.96665
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C6H4N2O7S/c9-7(10)4-1-2-6(16(13,14)15)5(3-4)8(11)12/h1-3H,(H,13,14,15)/p-1
InChIKeyOVOJUAKDTOOXRF-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2,4-dinitrobenzenesulfonate (CHEBI:53069) is a C-nitro compound (CHEBI:35716)
2,4-dinitrobenzenesulfonate (CHEBI:53069) is a arenesulfonate oxoanion (CHEBI:22713)
2,4-dinitrobenzenesulfonate (CHEBI:53069) is conjugate base of 2,4-dinitrobenzenesulfonic acid (CHEBI:53070)
Incoming Relation(s)
sodium 2,4-dinitrobenzenesulfonate (CHEBI:53350) has part 2,4-dinitrobenzenesulfonate (CHEBI:53069)
2,4-dinitrobenzenesulfonic acid (CHEBI:53070) is conjugate acid of 2,4-dinitrobenzenesulfonate (CHEBI:53069)
IUPAC Name 
2,4-dinitrobenzenesulfonate
Synonyms  Source
DNBSChEBI
2,4-dinitrobenzene-1-sulfonate(1−)ChEBI
Registry NumbersSources
Gmelin:241723Gmelin
Reaxys:3912248Reaxys
Citations