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CHEBI:87117 - erythrosin

ChEBI IDCHEBI:87117
ChEBI Nameerythrosin
Stars
DefinitionAn organoiodine compound that is the ring opened tautomer of fluorescein substituted at positions 2, 4, 5 and 7 by iodo groups.
Last Modified18 May 2021
SubmitterSteve
DownloadsMolfile
FormulaC20H10I4O5
Net Charge0
Average Mass837.911
Monoisotopic Mass837.67072
SMILESO=C1C(I)=CC2=C(c3ccccc3C(=O)O)C3C=C(I)C(O)=C(I)C3OC2=C1I
InChIInChI=1S/C20H10I4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,9,18,25H,(H,27,28)
InChIKeyWTOSNONTQZJEBC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Applications:
dye 
ChEBI Ontology
Outgoing Relation(s)
erythrosin (CHEBI:87117) has functional parent fluorescein (acid form) (CHEBI:172923)
erythrosin (CHEBI:87117) has role fluorescent dye (CHEBI:51121)
erythrosin (CHEBI:87117) is a benzoic acids (CHEBI:22723)
erythrosin (CHEBI:87117) is a organoiodine compound (CHEBI:37142)
erythrosin (CHEBI:87117) is a phenols (CHEBI:33853)
erythrosin (CHEBI:87117) is a xanthene dye (CHEBI:37929)
erythrosin (CHEBI:87117) is conjugate acid of erythrosin(2−) (CHEBI:87118)
Incoming Relation(s)
erythrosin(2−) (CHEBI:87118) is conjugate base of erythrosin (CHEBI:87117)
IUPAC Name 
2-(2,4,5,7-tetraiodo-6-oxido-3-oxo-8a,10a-dihydro-3H-xanthen-9-yl)benzoic acid
Synonyms  Source
erythrosin B free acidChEBI
acid red 51 (free acid form)ChEBI
Erythrosin(E)ChemIDplus
2,4,5,7-TetraiodofluoresceinChemIDplus
NSC 4905ChemIDplus
Registry NumbersSources
CAS:548-25-4ChemIDplus