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CHEBI:52814 - C7-oxacyanine cation

ChEBI IDCHEBI:52814
ChEBI NameC7-oxacyanine cation
Stars
DefinitionThe cationic form of a C7 cyanine dye having 3-ethyl-1,3-benzoxazol-2(3H)-yl units at each end.
Last Modified28 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC25H25N2O2
Net Charge+1
Average Mass385.487
Monoisotopic Mass385.19105
SMILES[H]C(=CC([H])=CC([H])=C1Oc2ccccc2N1CC)C=C([H])c1oc2ccccc2[n+]1CC
InChIInChI=1S/C25H25N2O2/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25/h5-19H,3-4H2,1-2H3/q+1
InChIKeyYFMAIXBXQGUOBW-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
C7-oxacyanine cation (CHEBI:52814) has role fluorochrome (CHEBI:51217)
C7-oxacyanine cation (CHEBI:52814) is a 1,3-benzoxazoles (CHEBI:51548)
C7-oxacyanine cation (CHEBI:52814) is a benzoxazolium ion (CHEBI:52841)
C7-oxacyanine cation (CHEBI:52814) is a cyanine dye (CHEBI:37960)
Incoming Relation(s)
C7-oxacyanine (CHEBI:51902) has part C7-oxacyanine cation (CHEBI:52814)
IUPAC Name 
3-ethyl-2-[7-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl]-1,3-benzoxazol-3-ium