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CHEBI:52819 - diOC18(3)(1+)

ChEBI IDCHEBI:52819
ChEBI NamediOC18(3)(1+)
Stars
DefinitionThe cationic form of a C3 cyanine dye having 3-octadecyl-1,3-benzoxazol-2(3H)-yl units at each end.
Last Modified28 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC53H85N2O2
Net Charge+1
Average Mass782.275
Monoisotopic Mass781.66056
SMILES[H]C(C([H])=C1Oc2ccccc2N1CCCCCCCCCCCCCCCCCC)=C([H])c1oc2ccccc2[n+]1CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C53H85N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-46-54-48-40-33-35-42-50(48)56-52(54)44-39-45-53-55(49-41-34-36-43-51(49)57-53)47-38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36,39-45H,3-32,37-38,46-47H2,1-2H3/q+1
InChIKeyOVZNYHIJJRAIQL-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
diOC18(3)(1+) (CHEBI:52819) has role fluorochrome (CHEBI:51217)
diOC18(3)(1+) (CHEBI:52819) is a 1,3-benzoxazoles (CHEBI:51548)
diOC18(3)(1+) (CHEBI:52819) is a benzoxazolium ion (CHEBI:52841)
diOC18(3)(1+) (CHEBI:52819) is a Cy3 dye (CHEBI:37987)
Incoming Relation(s)
diOC18(3) dye (CHEBI:52032) has part diOC18(3)(1+) (CHEBI:52819)
IUPAC Name 
3-octadecyl-2-[3-(3-octadecyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium