3-Ethyl-2-(3-(3-ethyl-3H-benzoxazol-2-ylidene)prop-1-enyl)benzoxazolium iodide
3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide
Also Known As: C3-oxacyanine|3,3'-Diethyloxacarbocyanine iodide|DOC Iodide|(2,5-dimethylphenyl)thiourea|3,3'-DiethyloxacarbocyanineIodide|KS-000017RO|EINECS 212-996-6|3,3'-Diethyloxacarbocyanine (iodide)|3,3'-Diethyl-2,2'-oxacarbocyanine iodide|3,3'-DIETHYLOXACARBO-CYANINE IODIDE|3,3'-Diethyl-2,2'-oxadicarbocyanine iodide|G 1745|1,1'-DIETHYL-2,2'-OXACARBOCYANINE IODIDE|3,3'-Diethyloxacarbocyanine Iodide, inverted exclamation markO98%|3-Ethyl-2-(3-(3-ethyl-3H-benzoxazol-2-ylidene)prop-1-enyl)benzoxazolium iodide|3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole;iodide|3-Ethyl-2-[3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propenyl]benzoxazolium iodide|3-Ethyl-2-[3-(3-ethyl-3H-benzoxazol-2-ylidene)-propenyl]-benzoxazolium iodide|Benzoxazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propenyl)-, iodide|Benzoxazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propenyl]-, iodide|3,3'-Diethyl-2,2'-oxacarbocyanine Iodide; 3-Ethyl-2-[3-ethyl-2(3H)-benzoxazolylidene)-1-propenyl]benzoxazolium Iodide)DOC; DOC (dye); DOCI; DiOC 2; DiOC 2(3); G 1745; 3-Ethyl-2-[3-(3-ethyl-2-benzoxazolinylidene)propenyl]benzoxazolium Iodide|3-Ethyl-2-(3-(3-ethylbenzo[d]oxazol-2(3H)-ylidene)prop-1-en-1-yl)benzo[d]oxazol-3-ium iodide|3-ethyl-2-[(1E)-3-[(2E)-3-ethyl-2,3-dihydro-1,3-benzoxazol-2-ylidene]prop-1-en-1-yl]-1,3-benzoxazol-3-ium iodide|3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium iodide|3-Ethyl-2-[3-[3-ethyl-2(3H)-benzoxazolylidene]-1-propenyl]benzoxazolium Iodide; DOC Iodide; DiOC2(3)|Benzoxazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propen-1-yl)-, iodide (1:1)|Benzoxazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1)
| Molecular Formula | C21H21IN2O2 |
|---|---|
| Molecular Weight | 460.0648 g/mol |
| LogP | 1.52 |
| Topological Polar Surface Area | 29.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.0648 |
| Heavy Atoms | 26 |
| Complexity | 975.1 |
Chemical Identifiers
| CAS Number | 905-96-4 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CC.[I-] |
Product Overview
3-Ethyl-2-(3-(3-ethyl-3H-benzoxazol-2-ylidene)prop-1-enyl)benzoxazolium iodide (CAS 905-96-4), with molecular formula C21H21IN2O2 and molecular weight 460.0648 g/mol. IUPAC: 3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide.
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