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CHEBI:52820 - diIC18(7)(1+)

ChEBI IDCHEBI:52820
ChEBI NamediIC18(7)(1+)
Stars
DefinitionThe cationic form of a C7 cyanine dye having 3,3-dimethyl-1-octadecylindoleinine units at each end.
Last Modified28 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC63H101N2
Net Charge+1
Average Mass886.515
Monoisotopic Mass885.79593
SMILES[H]C(=C([H])C([H])=C([H])C1=[N+](CCCCCCCCCCCCCCCCCC)c2ccccc2C1(C)C)C([H])=C([H])C([H])=C1N(CCCCCCCCCCCCCCCCCC)c2ccccc2C1(C)C
InChIInChI=1S/C63H101N2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-46-54-64-58-50-44-42-48-56(58)62(3,4)60(64)52-40-36-35-37-41-53-61-63(5,6)57-49-43-45-51-59(57)65(61)55-47-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h35-37,40-45,48-53H,7-34,38-39,46-47,54-55H2,1-6H3/q+1
InChIKeySZNXJAAOEKPPMN-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
diIC18(7)(1+) (CHEBI:52820) has role fluorochrome (CHEBI:51217)
diIC18(7)(1+) (CHEBI:52820) is a cyanine dye (CHEBI:37960)
diIC18(7)(1+) (CHEBI:52820) is a indolium ion (CHEBI:52840)
Incoming Relation(s)
diIC18(7) dye (CHEBI:52033) has part diIC18(7)(1+) (CHEBI:52820)
IUPAC Name 
2-[7-(3,3-dimethyl-1-octadecyl-1,3-dihydro-2H-indol-2-ylidene)hepta-1,3,5-trien-1-yl]-3,3-dimethyl-1-octadecyl-3H-indolium