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1,1'-Diethyl-4,4'-carbocyanine iodide

Catalog Number
ACM4727508-2
Product Name
1,1'-Diethyl-4,4'-carbocyanine iodide
Structure
CAS
4727-50-8
Category
Other Materials
IUPAC Name
(4E)-1-ethyl-4-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline;iodide
Molecular Weight
480.4g/mol
Molecular Formula
C25H25IN2
Canonical SMILES
CCN1C=CC(=CC=CC2=CC=[N+](C3=CC=CC=C23)CC)C4=CC=CC=C41.[I-]
InChI
InChI=1S/C25H25N2.HI/c1-3-26-18-16-20(22-12-5-7-14-24(22)26)10-9-11-21-17-19-27(4-2)25-15-8-6-13-23(21)25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key
CEJANLKHJMMNQB-UHFFFAOYSA-M
Complexity
527
Covalently-Bonded Unit Count
2
EC Number
225-224-8
Exact Mass
480.10625g/mol
Formal Charge
0
Heavy Atom Count
28
MeSH Entry Terms
1,1'-diethyl-4,4'-carbocyanine;crytocyanine;kryptocyanine;kryptocyanine, ethyl sulfate
Monoisotopic Mass
480.10625g/mol
Rotatable Bond Count
4
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