EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:68618 - eosin b diphenol

ChEBI IDCHEBI:68618
ChEBI Nameeosin b diphenol
Stars
DefinitionA C-nitro compound which consists of a fluorescein skeleton substituted by bromo groups at positions 4 and 5 and nitro groups at positions 2 and 7.
Last Modified5 October 2012
Submitternamrata
DownloadsMolfile
FormulaC20H8Br2N2O9
Net Charge0
Average Mass580.097
Monoisotopic Mass577.85965
SMILESO=C1OC2(c3ccccc31)c1cc([N+](=O)[O-])c(O)c(Br)c1Oc1c2cc([N+](=O)[O-])c(O)c1Br
InChIInChI=1S/C20H8Br2N2O9/c21-13-15(25)11(23(28)29)5-9-17(13)32-18-10(6-12(24(30)31)16(26)14(18)22)20(9)8-4-2-1-3-7(8)19(27)33-20/h1-6,25-26H
InChIKeyZBQZBWKNGDEDOA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
eosin b diphenol (CHEBI:68618) has functional parent fluorescein (lactone form) (CHEBI:31624)
eosin b diphenol (CHEBI:68618) is a C-nitro compound (CHEBI:35716)
eosin b diphenol (CHEBI:68618) is a 2-benzofurans (CHEBI:38831)
eosin b diphenol (CHEBI:68618) is a lactone (CHEBI:25000)
eosin b diphenol (CHEBI:68618) is a organobromine compound (CHEBI:37141)
eosin b diphenol (CHEBI:68618) is a oxaspiro compound (CHEBI:37948)
eosin b diphenol (CHEBI:68618) is a xanthenes (CHEBI:38835)
eosin b diphenol (CHEBI:68618) is conjugate acid of eosin b(2−) (CHEBI:68617)
Incoming Relation(s)
eosin b(2−) (CHEBI:68617) is conjugate base of eosin b diphenol (CHEBI:68618)
IUPAC Name 
4',5'-dibromo-3',6'-dihydroxy-2',7'-dinitro-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
Synonym  Source
2,7-dinitro-4,5-dibromofluoresceinChEBI
Registry NumbersSources
Reaxys:71813Reaxys