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CHEBI:51222 - YoYo-3

ChEBI IDCHEBI:51222
ChEBI NameYoYo-3
Stars
Last Modified6 August 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC53H58N6O2.4I
Net Charge0
Average Mass1318.703
Monoisotopic Mass1318.08002
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.[I-].[I-].[I-].[I-]
InChIInChI=1S/C53H58N6O2.4HI/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;4*1H/q+4;;;;/p-4
InChIKeyJSBNEYNPYQFYNM-UHFFFAOYSA-J
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
YoYo-3 (CHEBI:51222) has part YoYo-3(4+) (CHEBI:52948)
YoYo-3 (CHEBI:51222) has role fluorochrome (CHEBI:51217)
YoYo-3 (CHEBI:51222) is a cyanine dye (CHEBI:37960)
YoYo-3 (CHEBI:51222) is a organic iodide salt (CHEBI:50356)
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} tetraiodide
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) tetraiodide
Registry NumbersSources
CAS:156312-20-8ChemIDplus