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ChEBI
> Main
CHEBI:52032 - diOC18(3) dye
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ChEBI Ontology
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ChEBI Name
diOC18(3) dye
ChEBI ID
CHEBI:52032
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C53H85ClN2O6
Net Charge
0
Average Mass
881.70500
Monoisotopic Mass
880.60962
InChI
InChI=1S/C53H85N2O2.ClHO4/c1-
3-
5-
7-
9-
11-
13-
15-
17-
19-
21-
23-
25-
27-
29-
31-
37-
46-
54-
48-
40-
33-
35-
42-
50(48)
56-
52(54)
44-
39-
45-
53-
55(49-
41-
34-
36-
43-
51(49)
57-
53)
47-
38-
32-
30-
28-
26-
24-
22-
20-
18-
16-
14-
12-
10-
8-
6-
4-
2;2-
1(3,4)
5/h33-
36,39-
45H,3-
32,37-
38,46-
47H2,1-
2H3;(H,2,3,4,5)
/q+1;/p-
1
InChIKey
GFZPJHFJZGRWMQ-UHFFFAOYSA-M
SMILES
[O-
]
Cl(=O)
(=O)
=O.[H]
C(=C([H]
)
c1oc2ccccc2[n+]
1CCCCCCCCCCCCCCCCCC)
C([H]
)
=C1Oc2ccccc2N1CCCCCCCCCCCCCCCCCC
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
diOC18(3) dye (
CHEBI:52032
)
has part
diOC18(3)(1+) (
CHEBI:52819
)
diOC18(3) dye (
CHEBI:52032
)
has role
fluorochrome (
CHEBI:51217
)
diOC18(3) dye (
CHEBI:52032
)
is a
1,3-benzoxazoles (
CHEBI:51548
)
diOC18(3) dye (
CHEBI:52032
)
is a
Cy3 dye (
CHEBI:37987
)
diOC18(3) dye (
CHEBI:52032
)
is a
organic perchlorate salt (
CHEBI:52165
)
IUPAC Name
3-
octadecyl-
2-
[3-
(3-
octadecyl-
1,3-
benzoxazol-
2(3
H
)-
ylidene)prop-
1-
en-
1-
yl]-
1,3-
benzoxazol-
3-
ium perchlorate
Synonyms
Sources
3,3'-dioctadecyloxacarbocyanine perchlorate
ChEBI
Benzoxazolium, 3-
octadecyl-
2-
[3-
(3-
octadecyl-
2(3
H
)-
benzoxazolylidene)-
1-
propenyl]-
, perchlorate
ChEBI
DiO
ChEBI
DiOC18(3)
ChEBI
Last Modified
24 July 2009