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CHEBI:52218 - pinacyanol iodide

ChEBI IDCHEBI:52218
ChEBI Namepinacyanol iodide
Stars
Last Modified31 July 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC25H25N2.I
Net Charge0
Average Mass480.393
Monoisotopic Mass480.10625
SMILES[H]C(=CC([H])=C1C=Cc2ccccc2N1CC)c1ccc2ccccc2[n+]1CC.[I-]
InChIInChI=1S/C25H25N2.HI/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKeyQWYZFXLSWMXLDM-UHFFFAOYSA-M
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
pinacyanol iodide (CHEBI:52218) has part pinacyanol cation (CHEBI:52877)
pinacyanol iodide (CHEBI:52218) has role fluorochrome (CHEBI:51217)
pinacyanol iodide (CHEBI:52218) is a cyanine dye (CHEBI:37960)
pinacyanol iodide (CHEBI:52218) is a organic iodide salt (CHEBI:50356)
IUPAC Name 
1-ethyl-2-[3-(1-ethylquinolin-2(1H)-ylidene)prop-1-en-1-yl]quinolinium iodide
Synonyms  Source
CarbocyanineChemIDplus
PinacyanoleChemIDplus
Sensitol RedChemIDplus
Registry NumbersSources
Beilstein:4117070Beilstein
CAS:605-91-4ChemIDplus
CAS:605-91-4NIST Chemistry WebBook