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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:60597 - eosin 5-isothiocyanate
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ChEBI Name
eosin 5-isothiocyanate
ChEBI ID
CHEBI:60597
Definition
The 2',4',5',7'-tetrabromo-5-isothiocyanato derivative of fluorescein; exhibits phosphorescence with an emission maximum at ~680 nm.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C21H7Br4NO5S
Net Charge
0
Average Mass
704.96500
Monoisotopic Mass
700.67785
InChI
InChI=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
InChIKey
XHXYXYGSUXANME-UHFFFAOYSA-N
SMILES
Oc1c(Br)cc2c(Oc3c(Br)c(O)c(Br)cc3C22OC(=O)c3cc(ccc23)N=C=S)c1Br
ChEBI Ontology
Outgoing
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-
3
H
-
spiro[2-
benzofuran-
1,9'-
xanthen]-
3-
one
Synonyms
Sources
EITC
ChEBI
Eosin isothiocyanate
ChemIDplus
Eosine-5-isothiocyanate
ChemIDplus
Registry Numbers
Types
Sources
60520-47-0
CAS Registry Number
ChemIDplus
8369978
Beilstein Registry Number
Beilstein
Citation
Type
Source
20371259
PubMed citation
Europe PMC
Last Modified
05 May 2021