Benzoxazolium, 3-octadecyl-2-[3-(3-octadecyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, 4-methylbenzenesulfonate (1:1)

CAS Registry Number®

60711-74-2
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CAS Name

Benzoxazolium, 3-octadecyl-2-[3-(3-octadecyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, 4-methylbenzenesulfonate (1:1)

Molecular Formula

C53H85N2O2.C7H7O3S

Cite this Page

Benzoxazolium, 3-octadecyl-2-[3-(3-octadecyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, 4-methylbenzenesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=60711-74-2 (retrieved 2024-08-24) (CAS RN: 60711-74-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C53H85N2O2.C7H8O3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-46-54-48-40-33-35-42-50(48)56-52(54)44-39-45-53-55(49-41-34-36-43-51(49)57-53)47-38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-6-2-4-7(5-3-6)11(8,9)10/h33-36,39-45H,3-32,37-38,46-47H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

InChIKey=AGONTKXFFSJLQO-UHFFFAOYSA-M

SMILES

C(CCCCCCCCCCCCCCCCC)N1C=2C(OC1=CC=CC3=[N+](CCCCCCCCCCCCCCCCCC)C=4C(O3)=CC=CC4)=CC=CC2.S(=O)(=O)([O-])C1=CC=C(C)C=C1

Canonical SMILES

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

Other Names for this Substance

  • Benzoxazolium, 3-octadecyl-2-[3-(3-octadecyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, 4-methylbenzenesulfonate (1:1)
  • Benzoxazolium, 3-octadecyl-2-[3-(3-octadecyl-2(3H)-benzoxazolylidene)-1-propenyl]-, salt with 4-methylbenzenesulfonic acid (1:1)
  • 3,3′-Dioctadecyl-2,2′-oxacarbocyanine p-toluenesulfonate
  • Eastman 11808
  • N,N′-Dioctadecyloxacarbocyanine p-toluenesulfonate