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CHEBI:87220 - flavianate

ChEBI IDCHEBI:87220
ChEBI Nameflavianate
Stars
DefinitionAn organosulfonate oxoanion obtained by deprotonation of the sulfo and phenolic hydroxy groups of flavianic acid.
Last Modified30 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC10H4N2O8S
Net Charge-2
Average Mass312.215
Monoisotopic Mass311.96993
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2ccc(S(=O)(=O)[O-])cc2c1[O-]
InChIInChI=1S/C10H6N2O8S/c13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17/h1-4,13H,(H,18,19,20)/p-2
InChIKeyFCQJEPASRCXVCB-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
flavianate (CHEBI:87220) is a organosulfonate oxoanion (CHEBI:33554)
flavianate (CHEBI:87220) is a phenolate anion (CHEBI:50525)
flavianate (CHEBI:87220) is conjugate base of flavianic acid (CHEBI:87221)
Incoming Relation(s)
naphthol yellow S (CHEBI:87219) has part flavianate (CHEBI:87220)
flavianic acid (CHEBI:87221) is conjugate acid of flavianate (CHEBI:87220)
IUPAC Name 
5,7-dinitro-8-oxidonaphthalene-2-sulfonate
Registry NumbersSources
Reaxys:3916217Reaxys