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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:52814 - C7-oxacyanine cation
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ChEBI Name
C7-oxacyanine cation
ChEBI ID
CHEBI:52814
Definition
The cationic form of a C7 cyanine dye having 3-ethyl-1,3-benzoxazol-2(3
H
)-yl units at each end.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C25H25N2O2
Net Charge
+1
Average Mass
385.47820
Monoisotopic Mass
385.19105
InChI
InChI=1S/C25H25N2O2/c1-
3-
26-
20-
14-
10-
12-
16-
22(20)
28-
24(26)
18-
8-
6-
5-
7-
9-
19-
25-
27(4-
2)
21-
15-
11-
13-
17-
23(21)
29-
25/h5-
19H,3-
4H2,1-
2H3/q+1
InChIKey
YFMAIXBXQGUOBW-UHFFFAOYSA-N
SMILES
[H]C(=CC([H])=CC([H])=C1Oc2ccccc2N1CC)C=C([H])c1oc2ccccc2[n+]1CC
Roles Classification
Application
(s):
fluorochrome
A fluorescent dye used to stain biological specimens.
dye
(via
cyanine dye
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
C7-oxacyanine cation (
CHEBI:52814
)
has role
fluorochrome (
CHEBI:51217
)
C7-oxacyanine cation (
CHEBI:52814
)
is a
1,3-benzoxazoles (
CHEBI:51548
)
C7-oxacyanine cation (
CHEBI:52814
)
is a
benzoxazolium ion (
CHEBI:52841
)
C7-oxacyanine cation (
CHEBI:52814
)
is a
cyanine dye (
CHEBI:37960
)
Incoming
C7-oxacyanine (
CHEBI:51902
)
has part
C7-oxacyanine cation (
CHEBI:52814
)
IUPAC Name
3-
ethyl-
2-
[7-
(3-
ethyl-
1,3-
benzoxazol-
2(3
H
)-
ylidene)hepta-
1,3,5-
trien-
1-
yl]-
1,3-
benzoxazol-
3-
ium
Last Modified
28 July 2009