Benzoxazolium, 3-hexyl-2-[3-(3-hexyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1)
CAS Registry Number®
53213-82-4
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CAS Name
Benzoxazolium, 3-hexyl-2-[3-(3-hexyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1)Molecular Formula
C29H37N2O2.ICite this Page
Benzoxazolium, 3-hexyl-2-[3-(3-hexyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=53213-82-4 (retrieved ) (CAS RN: 53213-82-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C29H37N2O2.HI/c1-3-5-7-13-22-30-24-16-9-11-18-26(24)32-28(30)20-15-21-29-31(23-14-8-6-4-2)25-17-10-12-19-27(25)33-29;/h9-12,15-21H,3-8,13-14,22-23H2,1-2H3;1H/q+1;/p-1
InChIKey
InChIKey=XVLXYDXJEKLXHN-UHFFFAOYSA-M
SMILES
C(CCCCC)N1C=2C(OC1=CC=CC3=[N+](CCCCCC)C=4C(O3)=CC=CC4)=CC=CC2.[I-]
Canonical SMILES
[I-].O1C=2C=CC=CC2N(C1=CC=CC=3OC=4C=CC=CC4[N+]3CCCCCC)CCCCCC
Other Names for this Substance
- Benzoxazolium, 3-hexyl-2-[3-(3-hexyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1)
- Benzoxazolium, 3-hexyl-2-[3-(3-hexyl-2(3H)-benzoxazolylidene)-1-propenyl]-, iodide
- 3,3′-Dihexyloxacarbocyanine iodide
- NK 2280
- DiOC6(3)
Deleted or Replaced CAS Registry Numbers
141608-95-9, 63596-48-5
