CHEBI:87196 - 2',4',5',7'-tetrabromo-2,3,4,5-tetrachlorofluorescein(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2',4',5',7'-tetrabromo-2,3,4,5-tetrachlorofluorescein(2−)
ChEBI ID CHEBI:87196
ChEBI ASCII Name 2',4',5',7'-tetrabromo-2,3,4,5-tetrachlorofluorescein(2-)
Definition A benzoate anion resulting from the removal of protons from the phenolic hydroxy group and the carboxy group of 2',4',5',7'-tetrabromo-2,3,4,5-tetrachlorofluorescein.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H2Br4Cl4O5
Net Charge -2
Average Mass 783.65600
Monoisotopic Mass 777.54008
InChI InChI=1S/C20H4Br4Cl4O5/c21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29/h1-2,29H,(H,31,32)/p-2
InChIKey RIVZUHBWXRGVOG-UHFFFAOYSA-L
SMILES [O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Br)c([O-])c(Br)c2oc2c(Br)c(=O)c(Br)cc12
ChEBI Ontology
Outgoing 2',4',5',7'-tetrabromo-2,3,4,5-tetrachlorofluorescein(2−) (CHEBI:87196) is a benzoates (CHEBI:22718)
2',4',5',7'-tetrabromo-2,3,4,5-tetrachlorofluorescein(2−) (CHEBI:87196) is a phenolate anion (CHEBI:50525)
2',4',5',7'-tetrabromo-2,3,4,5-tetrachlorofluorescein(2−) (CHEBI:87196) is conjugate base of 2',4',5',7'-tetrabromo-2,3,4,5-tetrachlorofluorescein (CHEBI:87193)
Incoming phloxine B (CHEBI:87192) has part 2',4',5',7'-tetrabromo-2,3,4,5-tetrachlorofluorescein(2−) (CHEBI:87196)
2',4',5',7'-tetrabromo-2,3,4,5-tetrachlorofluorescein (CHEBI:87193) is conjugate acid of 2',4',5',7'-tetrabromo-2,3,4,5-tetrachlorofluorescein(2−) (CHEBI:87196)
IUPAC Name
2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate
Registry Number Type Source
1415601 Reaxys Registry Number Reaxys
Last Modified
29 July 2015