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3,3'-Diethyloxadicarbocyanine Iodide, 98%

Catalog Number
ACM14806509-1
CAS Number
14806-50-9
Product Name
3,3'-Diethyloxadicarbocyanine Iodide, 98%
Structure
Category
Other Glass and Ceramic Materials
IUPAC Name
(2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole;iodide
Molecular Weight
486.3g/mol
Molecular Formula
C23H23IN2O2
Canonical SMILES
CCN1C2=CC=CC=C2OC1=CC=CC=CC3=[N+](C4=CC=CC=C4O3)CC.[I-]
InChI
InChI=1S/C23H23N2O2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key
CLDZYSUDOQXJOU-UHFFFAOYSA-M
Complexity
537
Covalently-Bonded Unit Count
2
EC Number
238-873-7
Exact Mass
486.08042g/mol
Formal Charge
0
Heavy Atom Count
28
MeSH Entry Terms
3,3'-diethyloxadicarbocyanine;3,3'-diethyloxadicarbocyanine iodide;3,3'-diethyloxadicarbocyanine, perchlorate;3,3'-diethyloxodicarbocyanine
Monoisotopic Mass
486.08042g/mol
NSC Number
270081
Rotatable Bond Count
5
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