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CHEBI:86228 - dithionitrobenzoic acid

ChEBI IDCHEBI:86228
ChEBI Namedithionitrobenzoic acid
Stars
DefinitionAn organic disulfide that results from the formal oxidative dimerisation of 2-nitro-5-thiobenzoic acid. An indicator used to quantify the number or concentration of thiol groups.
Last Modified29 June 2015
SubmitterSteve
DownloadsMolfile
FormulaC14H8N2O8S2
Net Charge0
Average Mass396.358
Monoisotopic Mass395.97221
SMILESO=C(O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H8N2O8S2/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-26-8-2-4-12(16(23)24)10(6-8)14(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyKIUMMUBSPKGMOY-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
indicator  Anything used in a scientific experiment to indicate the presence of a substance or quality, change in a body, etc.
ChEBI Ontology
Outgoing Relation(s)
dithionitrobenzoic acid (CHEBI:86228) has role indicator (CHEBI:47867)
dithionitrobenzoic acid (CHEBI:86228) is a nitrobenzoic acid (CHEBI:25553)
dithionitrobenzoic acid (CHEBI:86228) is a organic disulfide (CHEBI:35489)
IUPAC Name 
3,3'-disulfanediylbis(6-nitrobenzoic acid)
Synonyms  Source
3,3'-Dithiobis(6-nitrobenzoic acid)ChemIDplus
2,2'-Dinitro-5,5'-dithiodibenzoic acidChemIDplus
Dithiobisnitrobenzoic acidChemIDplus
5,5'-dithiobis(2-nitrobenzoic acid)ChEBI
DTNBChemIDplus
2,2'-Dinitro-5,5'-dithiodibenzoesäureChemIDplus
Manual XrefsDatabases
DITHIO-NITROBENZOATEMetaCyc
Ellman's_reagentWikipedia
Registry NumbersSources
Reaxys:1896821Reaxys
CAS:69-78-3ChemIDplus
Citations