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CHEBI:38005 - 1,1'-diethyl-2,2'-cyanine bromide

ChEBI IDCHEBI:38005
ChEBI Name1,1'-diethyl-2,2'-cyanine bromide
Stars
Last Modified28 January 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaBr.C23H23N2
Net Charge0
Average Mass407.355
Monoisotopic Mass406.10446
SMILES[Br-].[H]C(=C1C=Cc2ccccc2N1CC)c1ccc2ccccc2[n+]1CC
InChIInChI=1S/C23H23N2.BrH/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKeySIYJHYMECSCDCR-UHFFFAOYSA-M
Roles Classification
Application:
dye 
ChEBI Ontology
Outgoing Relation(s)
1,1'-diethyl-2,2'-cyanine bromide (CHEBI:38005) is a 1,1'-diethyl-2,2'-cyanine halide (CHEBI:38003)
1,1'-diethyl-2,2'-cyanine bromide (CHEBI:38005) is a organic bromide salt (CHEBI:48369)
IUPAC Name 
1-ethyl-2-{[1-ethylquinolin-2(1H)-ylidene]methyl}quinolinium bromide
Registry NumbersSources
Beilstein:4116631Beilstein
CAS:1613-31-6ChemIDplus