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CHEBI:52029 - dilC18(3) dye

ChEBI IDCHEBI:52029
ChEBI NamedilC18(3) dye
Stars
Last Modified24 July 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC59H97N2.ClO4
Net Charge0
Average Mass933.888
Monoisotopic Mass932.71369
SMILESO=Cl(=O)(=O)[O-].[H]C(=C([H])C1=[N+](CCCCCCCCCCCCCCCCCC)c2ccccc2C1(C)C)C([H])=C1N(CCCCCCCCCCCCCCCCCC)c2ccccc2C1(C)C
InChIInChI=1S/C59H97N2.ClHO4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-50-60-54-46-39-37-44-52(54)58(3,4)56(60)48-43-49-57-59(5,6)53-45-38-40-47-55(53)61(57)51-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;2-1(3,4)5/h37-40,43-49H,7-36,41-42,50-51H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyJVXZRNYCRFIEGV-UHFFFAOYSA-M
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
dilC18(3) dye (CHEBI:52029) has part dilC18(3)(1+) (CHEBI:52818)
dilC18(3) dye (CHEBI:52029) has role fluorochrome (CHEBI:51217)
dilC18(3) dye (CHEBI:52029) is a Cy3 dye (CHEBI:37987)
dilC18(3) dye (CHEBI:52029) is a organic perchlorate salt (CHEBI:52165)
IUPAC Name 
2-[3-(3,3-dimethyl-1-octadecyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3,3-dimethyl-1-octadecyl-3H-indolium perchlorate
Synonyms  Source
DiIChEBI
3H-Indolium, 2-[3-(1,3-dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-1-octadecyl-, perchlorateChEBI
DilC18(3)ChEBI