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1 1-Diethyl-4 4-dicarbocyanine iodide

Catalog Number
ACM18300317
CAS Number
18300-31-7
Product Name
1 1-Diethyl-4 4-dicarbocyanine iodide
Structure
Category
Other Materials
Synonyms
1,1-Diethyl-4,4-dicarbocyanine iodide Dye content 90 %
IUPAC Name
(4E)-1-ethyl-4-[(2E,4E)-5-(1-ethylquinolin-1-ium-4-yl)penta-2,4-dienylidene]quinoline;iodide
Molecular Weight
506.4g/mol
Molecular Formula
C27H27IN2
Canonical SMILES
CCN1C=CC(=CC=CC=CC2=CC=[N+](C3=CC=CC=C23)CC)C4=CC=CC=C41.[I-]
InChI
InChI=1S/C27H27N2.HI/c1-3-28-20-18-22(24-14-8-10-16-26(24)28)12-6-5-7-13-23-19-21-29(4-2)27-17-11-9-15-25(23)27;/h5-21H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key
XDGZLJIBGBJNTI-UHFFFAOYSA-M
Complexity
591
Covalently-Bonded Unit Count
2
Exact Mass
506.1219g/mol
Formal Charge
0
Heavy Atom Count
30
Monoisotopic Mass
506.1219g/mol
Rotatable Bond Count
5
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