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CHEBI:90220 - 2,7-dibromo-4-hydroxymercurifluorescein(2−)

ChEBI IDCHEBI:90220
ChEBI Name2,7-dibromo-4-hydroxymercurifluorescein(2−)
Stars
ASCII Name2,7-dibromo-4-hydroxymercurifluorescein(2-)
DefinitionA benzoate anion resulting from deprotonation from the phenol and the carboxy groups of 2,7-dibromo-4-hydroxymercurifluorescein.
Last Modified5 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC20H8Br2HgO6
Net Charge-2
Average Mass704.676
Monoisotopic Mass703.84050
SMILESO=C([O-])c1ccccc1-c1c2cc(Br)c(=O)cc-2oc2[c]([Hg][OH])c([O-])c(Br)cc12
InChIInChI=1S/C20H9Br2O5.Hg.H2O/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26;;/h1-7,24H,(H,25,26);;1H2/q;+1;/p-3
InChIKeyOHCFGBLQZMYRTR-UHFFFAOYSA-K
ChEBI Ontology
Outgoing Relation(s)
2,7-dibromo-4-hydroxymercurifluorescein(2−) (CHEBI:90220) is a benzoates (CHEBI:22718)
2,7-dibromo-4-hydroxymercurifluorescein(2−) (CHEBI:90220) is a phenolate anion (CHEBI:50525)
2,7-dibromo-4-hydroxymercurifluorescein(2−) (CHEBI:90220) is conjugate base of 2,7-dibromo-4-hydroxymercurifluorescein (CHEBI:90221)
Incoming Relation(s)
merbromin (CHEBI:6763) has part 2,7-dibromo-4-hydroxymercurifluorescein(2−) (CHEBI:90220)
2,7-dibromo-4-hydroxymercurifluorescein (CHEBI:90221) is conjugate acid of 2,7-dibromo-4-hydroxymercurifluorescein(2−) (CHEBI:90220)
IUPAC Name 
[2,7-dibromo-9-(2-carboxylatophenyl)-6-oxido-3-oxo-3H-xanthen-5-yl](hydroxy)mercury