3,3′-Diethyloxacarbocyanine iodide

CAS Registry Number®

905-96-4

CAS Name

3,3′-Diethyloxacarbocyanine iodide

Molecular Formula

C21H21N2O2.I

Cite this Page

3,3′-Diethyloxacarbocyanine iodide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=905-96-4 (retrieved 2024-12-20) (CAS RN: 905-96-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    210 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H21N2O2.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1

InChIKey

InChIKey=FIZZUEJIOKEFFZ-UHFFFAOYSA-M

SMILES

C(C)N1C=2C(OC1=CC=CC3=[N+](CC)C=4C(O3)=CC=CC4)=CC=CC2.[I-]

Canonical SMILES

[I-].O1C=2C=CC=CC2N(C1=CC=CC=3OC=4C=CC=CC4[N+]3CC)CC

Other Names for this Substance

  • 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-benzoxazolinylidene)propenyl]-, iodide
  • Benzoxazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propenyl]-, iodide
  • 3-Ethyl-2-[3-(3-ethyl-2-benzoxazolinylidene)propenyl]benzoxazolium iodide
  • 3,3′-Diethyloxacarbocyanine iodide

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Deleted or Replaced CAS Registry Numbers

66796-36-9, 188652-76-8

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