Benzoxazolium, 3-hexyl-2-[3-(3-hexyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1)

CAS Registry Number®

53213-82-4

CAS Name

Benzoxazolium, 3-hexyl-2-[3-(3-hexyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1)

Molecular Formula

C29H37N2O2.I

Cite 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 2024-11-26) (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)

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Deleted or Replaced CAS Registry Numbers

141608-95-9, 63596-48-5

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