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CHEBI:52032 - diOC18(3) dye

ChEBI IDCHEBI:52032
ChEBI NamediOC18(3) dye
Stars
Last Modified24 July 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC53H85N2O2.ClO4
Net Charge0
Average Mass881.724
Monoisotopic Mass880.60962
SMILESO=Cl(=O)(=O)[O-].[H]C(C([H])=C1Oc2ccccc2N1CCCCCCCCCCCCCCCCCC)=C([H])c1oc2ccccc2[n+]1CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C53H85N2O2.ClHO4/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;2-1(3,4)5/h33-36,39-45H,3-32,37-38,46-47H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyGFZPJHFJZGRWMQ-UHFFFAOYSA-M
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
diOC18(3) dye (CHEBI:52032) has part diOC18(3)(1+) (CHEBI:52819)
diOC18(3) dye (CHEBI:52032) has role fluorochrome (CHEBI:51217)
diOC18(3) dye (CHEBI:52032) is a 1,3-benzoxazoles (CHEBI:51548)
diOC18(3) dye (CHEBI:52032) is a Cy3 dye (CHEBI:37987)
diOC18(3) dye (CHEBI:52032) is a organic perchlorate salt (CHEBI:52165)
IUPAC Name 
3-octadecyl-2-[3-(3-octadecyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium perchlorate
Synonyms  Source
DiOChEBI
3,3'-dioctadecyloxacarbocyanine perchlorateChEBI
Benzoxazolium, 3-octadecyl-2-[3-(3-octadecyl-2(3H)-benzoxazolylidene)-1-propenyl]-, perchlorateChEBI
DiOC18(3)ChEBI