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CHEBI:52027 - dilC18(5) dye

ChEBI IDCHEBI:52027
ChEBI NamedilC18(5) dye
Stars
Last Modified24 July 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC61H99N2.ClO4
Net Charge0
Average Mass959.926
Monoisotopic Mass958.72934
SMILESO=Cl(=O)(=O)[O-].[H]C(=C([H])C([H])=C1N(CCCCCCCCCCCCCCCCCC)c2ccccc2C1(C)C)C([H])=C([H])C1=[N+](CCCCCCCCCCCCCCCCCC)c2ccccc2C1(C)C
InChIInChI=1S/C61H99N2.ClHO4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-52-62-56-48-42-40-46-54(56)60(3,4)58(62)50-38-37-39-51-59-61(5,6)55-47-41-43-49-57(55)63(59)53-45-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;2-1(3,4)5/h37-43,46-51H,7-36,44-45,52-53H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyZQSBJPAQPRVNHU-UHFFFAOYSA-M
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
dilC18(5) dye (CHEBI:52027) has part dilC18(5)(1+) (CHEBI:52817)
dilC18(5) dye (CHEBI:52027) has role fluorochrome (CHEBI:51217)
dilC18(5) dye (CHEBI:52027) is a Cy5 dye (CHEBI:37989)
dilC18(5) dye (CHEBI:52027) is a organic perchlorate salt (CHEBI:52165)
IUPAC Name 
2-[5-(3,3-dimethyl-1-octadecyl-1,3-dihydro-2H-indol-2-ylidene)penta-1,3-dien-1-yl]-3,3-dimethyl-1-octadecyl-3H-indolium perchlorate
Synonyms  Source
DiDChEBI
3H-Indolium, 2-(5-(1,3-dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1,3-pentadienyl)-3,3-dimethyl-1-octadecyl-, perchlorateChEBI
DilC18(5)ChEBI