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

ChEBI IDCHEBI:87196
ChEBI Name2',4',5',7'-tetrabromo-2,3,4,5-tetrachlorofluorescein(2−)
Stars
ASCII Name2',4',5',7'-tetrabromo-2,3,4,5-tetrachlorofluorescein(2-)
DefinitionA 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.
Last Modified29 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC20H2Br4Cl4O5
Net Charge-2
Average Mass783.659
Monoisotopic Mass777.54008
SMILESO=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c([O-])c(Br)cc12
InChIInChI=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
InChIKeyRIVZUHBWXRGVOG-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 NumbersSources
Reaxys:1415601Reaxys