CHEBI:52812 - C3-oxacyanine cation

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ChEBI Name C3-oxacyanine cation
ChEBI ID CHEBI:52812
Definition The cationic form of a C3 cyanine dye having 3-ethyl-1,3-benzoxazol-2(3H)-yl units at each end.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H21N2O2
Net Charge +1
Average Mass 333.40360
Monoisotopic Mass 333.15975
InChI InChI=1S/C21H21N2O2/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21/h5-15H,3-4H2,1-2H3/q+1
InChIKey VZUFSMBGWBLOCB-UHFFFAOYSA-N
SMILES [H]C(=CC([H])=C1Oc2ccccc2N1CC)c1oc2ccccc2[n+]1CC
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
dye

(via cyanine dye )
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ChEBI Ontology
Outgoing C3-oxacyanine cation (CHEBI:52812) has role fluorochrome (CHEBI:51217)
C3-oxacyanine cation (CHEBI:52812) is a 1,3-benzoxazoles (CHEBI:51548)
C3-oxacyanine cation (CHEBI:52812) is a benzoxazolium ion (CHEBI:52841)
C3-oxacyanine cation (CHEBI:52812) is a cyanine dye (CHEBI:37960)
Incoming C3-oxacyanine (CHEBI:52781) has part C3-oxacyanine cation (CHEBI:52812)
IUPAC Name
3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium
Synonym Source
3,3'-Diethyloxacarbocyanine ChemIDplus
Registry Number Type Source
37069-75-3 CAS Registry Number ChemIDplus
Last Modified
28 July 2009