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CHEBI:52948 - YoYo-3(4+)

ChEBI IDCHEBI:52948
ChEBI NameYoYo-3(4+)
Stars
DefinitionThe tetracation of YoYo-1 dye.
Last Modified6 August 2009
SubmitterSteve
DownloadsMolfile
FormulaC53H58N6O2
Net Charge+4
Average Mass811.087
Monoisotopic Mass810.45993
SMILES[H]C(=CC([H])=C1Oc2ccccc2N1C)c1cc[n+](CCC(CCCC(CC[n+]2ccc(C([H])=CC([H])=C3Oc4ccccc4N3C)c3ccccc32)=[N+](C)C)=[N+](C)C)c2ccccc12
InChIInChI=1S/C53H58N6O2/c1-54(2)42(34-38-58-36-32-40(44-22-7-9-24-46(44)58)18-15-30-52-56(5)48-26-11-13-28-50(48)60-52)20-17-21-43(55(3)4)35-39-59-37-33-41(45-23-8-10-25-47(45)59)19-16-31-53-57(6)49-27-12-14-29-51(49)61-53/h7-16,18-19,22-33,36-37H,17,20-21,34-35,38-39H2,1-6H3/q+4
InChIKeyZLOWWSOJELERQH-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
YoYo-3(4+) (CHEBI:52948) has role fluorochrome (CHEBI:51217)
YoYo-3(4+) (CHEBI:52948) is a benzoxazolium ion (CHEBI:52841)
YoYo-3(4+) (CHEBI:52948) is a cyanine dye (CHEBI:37960)
YoYo-3(4+) (CHEBI:52948) is a iminium ion (CHEBI:35286)
YoYo-3(4+) (CHEBI:52948) is a quinolinium ion (CHEBI:52837)
Incoming Relation(s)
YoYo-3 (CHEBI:51222) has part YoYo-3(4+) (CHEBI:52948)
IUPAC Names 
1,1'-[3,7-bis(dimethyliminio)nonane-1,9-diyl]bis{4-[3-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]quinolinium}
2,2'-{[3,7-bis(dimethyliminio)nonane-1,9-diyl]bis[quinolin-1-yl-4-ylideneprop-1-en-1-yl-3-ylidene]}bis(3-methyl-1,3-benzoxazol-3-ium)
Synonyms  Source
YoYo-3 cationChEBI
YoYo-3 tetracationChEBI