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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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(2H)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl}propane-1-sulfonate
Synonym Source
merocyanine 540(1−) ChEBI
Last Modified
28 August 2013