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CHEBI:52805 - C5-oxacyanine cation

ChEBI IDCHEBI:52805
ChEBI NameC5-oxacyanine cation
Stars
DefinitionThe cationic form of a C5 cyanine dye having 3-ethyl-1,3-benzoxazol-2(3H)-yl units at each end.
Last Modified28 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC23H23N2O2
Net Charge+1
Average Mass359.449
Monoisotopic Mass359.17540
SMILES[H]C(=CC([H])=C1Oc2ccccc2N1CC)C([H])=Cc1oc2ccccc2[n+]1CC
InChIInChI=1S/C23H23N2O2/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23/h5-17H,3-4H2,1-2H3/q+1
InChIKeyVAGJCLDZLVQVPR-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
C5-oxacyanine cation (CHEBI:52805) has role fluorochrome (CHEBI:51217)
C5-oxacyanine cation (CHEBI:52805) is a 1,3-benzoxazoles (CHEBI:51548)
C5-oxacyanine cation (CHEBI:52805) is a benzoxazolium ion (CHEBI:52841)
C5-oxacyanine cation (CHEBI:52805) is a cyanine dye (CHEBI:37960)
Incoming Relation(s)
C5-oxacyanine (CHEBI:51899) has part C5-oxacyanine cation (CHEBI:52805)
IUPAC Name 
3-ethyl-2-[5-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzoxazol-3-ium