orb2566569
3-octadecyl-2-[5-(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole iodide
Also Known As: 3,3'-Dioctadecyloxacarbocyanine
CAS: 68006-80-4
| Molecular Formula | C55H87IN2O2 |
|---|---|
| Molecular Weight | 934.58124 g/mol |
| LogP | 14.5571 |
| Topological Polar Surface Area | 29.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 37 |
| Exact Mass | 934.58124 |
| Monoisotopic Mass | 934.58124 |
| Heavy Atoms | 60 |
| Complexity | 1573.4047 |
Chemical Identifiers
| CAS Number | 68006-80-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2OC1=CC=CC=CC3=[N+](C4=CC=CC=C4O3)CCCCCCCCCCCCCCCCCC.[I-] |
Product Overview
orb2566569 (CAS 68006-80-4), with molecular formula C55H87IN2O2 and molecular weight 934.58124 g/mol. IUPAC: 3-octadecyl-2-[5-(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole iodide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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