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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,7-dibromo-4-hydroxymercurifluorescein(2−)
ChEBI ID CHEBI:90220
ChEBI ASCII Name 2,7-dibromo-4-hydroxymercurifluorescein(2-)
Definition A benzoate anion resulting from deprotonation from the phenol and the carboxy groups of 2,7-dibromo-4-hydroxymercurifluorescein.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H8Br2HgO6
Net Charge -2
Average Mass 704.681
Monoisotopic Mass 703.84050
InChI InChI=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
InChIKey OHCFGBLQZMYRTR-UHFFFAOYSA-K
SMILES C1=C(C(C=C2C1=C(C3=C(O2)C(=C(C(=C3)Br)[O-])[Hg]O)C4=CC=CC=C4C([O-])=O)=O)Br
ChEBI Ontology
Outgoing 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 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
Last Modified
05 November 2015