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CHEBI:52261 - rose bengal

Default Structure
ChEBI IDCHEBI:52261
ChEBI Namerose bengal
Stars
DefinitionAn organic potassium salt that is the dipotassium salt of 2,3,4,5-tetrachloro-6-(2,4,5,7-tetraiodo-6-hydroxy-3-oxoxanthen-9-yl)benzoic acid.
Secondary ChEBI IDCHEBI:87199
Last Modified29 July 2015
SubmitterInma Spiteri, Steve
DownloadsMolfile
FormulaC20H2Cl4I4O5.2K
Net Charge0
Average Mass1049.855
Monoisotopic Mass1047.41094
SMILESO=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12.[K+].[K+]
InChIInChI=1S/C20H4Cl4I4O5.2K/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28;;/h1-2,29H,(H,31,32);;/q;2*+1/p-2
InChIKeyAZJPTIGZZTZIDR-UHFFFAOYSA-L
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
histological dye  A dye used in microscopic or electron microscopic examination of cells and tissues to give contrast and to highlight particular features of interest, such as nuclei and cytoplasm.
dye 
ChEBI Ontology
Outgoing Relation(s)
rose bengal (CHEBI:52261) has functional parent fluorescin (CHEBI:42492)
rose bengal (CHEBI:52261) has part rose bengal(2−) (CHEBI:52904)
rose bengal (CHEBI:52261) has role fluorochrome (CHEBI:51217)
rose bengal (CHEBI:52261) has role histological dye (CHEBI:77178)
rose bengal (CHEBI:52261) is a organic potassium salt (CHEBI:50394)
rose bengal (CHEBI:52261) is a xanthene dye (CHEBI:37929)
IUPAC Name 
dipotassium 2,3,4,5-tetrachloro-6-(2,4,5,7-tetraiodo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate
Synonyms  Source
Acid red 94ChEBI
Bengal roseChemIDplus
C.I. 45440ChEBI
Red No. 105ChemIDplus
Rose bengaleChemIDplus
Registry NumbersSources
Reaxys:4121962Reaxys
CAS:11121-48-5ChemIDplus
Citations