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ChEBI
> Main
CHEBI:52872 - merocyanine 540 anion
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ChEBI Name
merocyanine 540 anion
ChEBI ID
CHEBI:52872
Definition
An anionic cyanine-type compound having
N
-substituted 1,3-benzoxazol-2-yl and 4,6-dioxo-2-sulfanylidenetetrahydropyrimidin-5-yl groups at either end.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C26H32N3O6S2
Net Charge
-1
Average Mass
546.67900
Monoisotopic Mass
546.17380
InChI
InChI=1S/C26H33N3O6S2/c1-
3-
5-
16-
28-
24(30)
20(25(31)
29(26(28)
36)
17-
6-
4-
2)
12-
7-
10-
15-
23-
27(18-
11-
19-
37(32,33)
34)
21-
13-
8-
9-
14-
22(21)
35-
23/h7-
10,12-
15H,3-
6,11,16-
19H2,1-
2H3,(H,32,33,34)
/p-
1
InChIKey
SKDUSRXOWAXOCO-UHFFFAOYSA-M
SMILES
[H]C(=CC([H])=C1Oc2ccccc2N1CCCS([O-])(=O)=O)C([H])=C1C(=O)N(CCCC)C(=S)N(CCCC)C1=O
Roles Classification
Application
(s):
fluorochrome
A fluorescent dye used to stain biological specimens.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
merocyanine 540 anion (
CHEBI:52872
)
has role
fluorochrome (
CHEBI:51217
)
merocyanine 540 anion (
CHEBI:52872
)
is a
1,3-benzoxazoles (
CHEBI:51548
)
merocyanine 540 anion (
CHEBI:52872
)
is a
organosulfonate oxoanion (
CHEBI:33554
)
Incoming
merocyanine 540 (
CHEBI:52129
)
has part
merocyanine 540 anion (
CHEBI:52872
)
IUPAC Name
3-
{2-
[4-
(1,3-
dibutyl-
4,6-
dioxo-
2-
sulfanylidenetetrahydropyrimidin-
5(2
H
)-
ylidene)but-
2-
en-
1-
ylidene]-
1,3-
benzoxazol-
3(2
H
)-
yl}propane-
1-
sulfonate
Synonym
Source
merocyanine 540(1−)
ChEBI
Last Modified
28 August 2013