Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoxazolium, 3-octadecyl-2-(3-(3-octadecyl-2(3H)-benzoxazolylidene)-1-propen-1-yl)-, 4-methylbenzenesulfonate (1:1)
RN: 60711-74-2
InChIKey: AGONTKXFFSJLQO-UHFFFAOYSA-M

Molecular Formula

  • C53-H85-N2-O2.C7-H7-O3-S

Molecular Weight

  • 953.462
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • 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)

Registry Numbers

CAS Registry Number

  • 60711-74-2

System Generated Number

  • 0060711742

Molecular Formulas

Molecular Formula

  • C53-H85-N2-O2.C7-H7-O3-S

Molecular Formula Fragments

  • C53-H85-N2-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

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

AGONTKXFFSJLQO-UHFFFAOYSA-M

Smiles

C([n+]1c(oc2c1cccc2)\C=C/C=C1/N(c2c(O1)cccc2)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC.c1cc(ccc1C)S(=O)(=O)[O-]