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CHEBI:51899 - C5-oxacyanine

ChEBI IDCHEBI:51899
ChEBI NameC5-oxacyanine
Stars
Last Modified17 October 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC23H23N2O2.I
Net Charge0
Average Mass486.353
Monoisotopic Mass486.08043
SMILES[H]C(=CC([H])=C1Oc2ccccc2N1CC)C([H])=Cc1oc2ccccc2[n+]1CC.[I-]
InChIInChI=1S/C23H23N2O2.HI/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;1H/q+1;/p-1
InChIKeyCLDZYSUDOQXJOU-UHFFFAOYSA-M
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
C5-oxacyanine (CHEBI:51899) has part C5-oxacyanine cation (CHEBI:52805)
C5-oxacyanine (CHEBI:51899) has role fluorochrome (CHEBI:51217)
C5-oxacyanine (CHEBI:51899) is a 1,3-benzoxazoles (CHEBI:51548)
C5-oxacyanine (CHEBI:51899) is a cyanine dye (CHEBI:37960)
C5-oxacyanine (CHEBI:51899) is a organic iodide salt (CHEBI:50356)
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 iodide
Synonym  Source
Oxadicarbocyanine (C5) dyeChEBI