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14806-50-9 | Benzoxazolium, 3-ethyl-2-[5-(3-ethyl-2(3H)-benzoxazolylidene)-1,3-pentadien-1-yl]-, iodide (1:1)
CAS No: 14806-50-9 Catalog No: AG001FF3 MDL No:MFCD00011953
Product Description
Catalog Number:
AG001FF3
Chemical Name:
Benzoxazolium, 3-ethyl-2-[5-(3-ethyl-2(3H)-benzoxazolylidene)-1,3-pentadien-1-yl]-, iodide (1:1)
CAS Number:
14806-50-9
Molecular Formula:
C23H23IN2O2
Molecular Weight:
486.3454
MDL Number:
MFCD00011953
IUPAC Name:
(2E)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole;iodide
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
SMILES:
CC[n+]1c(C=CC=CC=c2oc3c(n2CC)cccc3)oc2c1cccc2.[I-]
EC Number:
238-873-7
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Exact Mass:
486.08g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
486.353g/mol
Monoisotopic Mass:
486.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Photoisomerization of cyanine derivatives in 1-butyl-3-methylimidazolium hexafluorophosphate and aqueous glycerol: influence of specific interactions. | The Journal of chemical physics 20080328 |
| Fluorescent quenching method for determination of trace hydrogen peroxide in rain water. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070701 |
| A G-quadruplex ligand 3,3'-diethyloxadicarbocyanine iodide induces mitochondrion-mediated apoptosis but not decrease of telomerase activity in nasopharyngeal carcinoma NPC-TW01 cells. | Pharmaceutical research 20040101 |
| Photophysical and photosensitizing properties of selected cyanines. | Journal of photochemistry and photobiology. B, Biology 20020801 |
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