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CHEBI:60597 - eosin 5-isothiocyanate

ChEBI IDCHEBI:60597
ChEBI Nameeosin 5-isothiocyanate
Stars
DefinitionThe 2',4',5',7'-tetrabromo-5-isothiocyanato derivative of fluorescein; exhibits phosphorescence with an emission maximum at ~680 nm.
Last Modified5 May 2021
SubmitterSteve
DownloadsMolfile
FormulaC21H7Br4NO5S
Net Charge0
Average Mass704.972
Monoisotopic Mass700.67784
SMILESO=C1OC2(c3ccc(N=C=S)cc31)c1cc(Br)c(O)c(Br)c1Oc1c2cc(Br)c(O)c1Br
InChIInChI=1S/C21H7Br4NO5S/c22-12-4-10-18(14(24)16(12)27)30-19-11(5-13(23)17(28)15(19)25)21(10)9-2-1-7(26-6-32)3-8(9)20(29)31-21/h1-5,27-28H
InChIKeyXHXYXYGSUXANME-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
eosin 5-isothiocyanate (CHEBI:60597) has functional parent fluorescein (lactone form) (CHEBI:31624)
eosin 5-isothiocyanate (CHEBI:60597) is a isothiocyanate (CHEBI:52221)
eosin 5-isothiocyanate (CHEBI:60597) is a organobromine compound (CHEBI:37141)
IUPAC Name 
2',4',5',7'-tetrabromo-3',6'-dihydroxy-5-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
Synonyms  Source
EITCChEBI
Eosin isothiocyanateChemIDplus
Eosine-5-isothiocyanateChemIDplus
Registry NumbersSources
Beilstein:8369978Beilstein
CAS:60520-47-0ChemIDplus
Citations