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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:52129 - merocyanine 540
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ChEBI Ontology
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ChEBI Name
merocyanine 540
ChEBI ID
CHEBI:52129
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C26H32N3NaO6S2
Net Charge
0
Average Mass
569.66900
Monoisotopic Mass
569.16302
InChI
InChI=1S/C26H33N3O6S2.Na/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)
;/q;+1/p-
1
InChIKey
OSQUFVVXNRMSHL-UHFFFAOYSA-M
SMILES
[Na+].[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 (
CHEBI:52129
)
has part
merocyanine 540 anion (
CHEBI:52872
)
merocyanine 540 (
CHEBI:52129
)
has role
fluorochrome (
CHEBI:51217
)
merocyanine 540 (
CHEBI:52129
)
is a
organic sodium salt (
CHEBI:38700
)
IUPAC Name
sodium 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
Registry Numbers
Types
Sources
62796-23-0
CAS Registry Number
ChemIDplus
62796-23-0
CAS Registry Number
NIST Chemistry WebBook
Last Modified
28 November 2011