dithionitrobenzoic acid (CHEBI:86228)

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ChEBI Name	dithionitrobenzoic acid

ChEBI ID	CHEBI:86228

Definition	An 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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C14H8N2O8S2

Net Charge

Average Mass

396.35200

Monoisotopic Mass

395.97221

InChI

InChI=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)

InChIKey

KIUMMUBSPKGMOY-UHFFFAOYSA-N

SMILES

OC(=O)c1cc(SSc2ccc(c(c2)C(O)=O)[N+]([O-])=O)ccc1[N+]([O-])=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Application(s):	indicator Anything used in a scientific experiment to indicate the presence of a substance or quality, change in a body, etc.

ChEBI Ontology
Outgoing	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	Sources
2,2'-Dinitro-5,5'-dithiodibenzoesäure	ChemIDplus
2,2'-Dinitro-5,5'-dithiodibenzoic acid	ChemIDplus
3,3'-Dithiobis(6-nitrobenzoic acid)	ChemIDplus
5,5'-dithiobis(2-nitrobenzoic acid)	ChEBI
5-(3-carboxy-4-nitro-phenyl)disulfanyl-2-nitrobenzoic acid	MetaCyc
Dithiobisnitrobenzoic acid	ChemIDplus
DTNB	ChemIDplus
Ellman's reagent	ChEBI

Last Modified

29 June 2015