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Substance Name: Benzyl(hexadecyl)dimethylammonium, salt with 4-bromo-2,6-xylenol (1:1)
RN: 85851-71-4
InChIKey: SFCSNBYQPYPJJJ-UHFFFAOYSA-M

Molecular Formula

  • C25-H46-N.C8-H8-Br-O

Molecular Weight

  • 560.6996
 
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Names and Synonyms

Synonym

  • EINECS 288-630-4

Systematic Name

  • Benzyl(hexadecyl)dimethylammonium, salt with 4-bromo-2,6-xylenol (1:1)

Registry Numbers

CAS Registry Number

  • 85851-71-4

System Generated Number

  • 0085851714

Molecular Formulas

Molecular Formula

  • C25-H46-N.C8-H8-Br-O

Molecular Formula Fragments

  • C25-H46-N
  • C8-H8-Br-O
  • COMPONENT

Structure Descriptors

InChI

1S/C25H46N.C8H9BrO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;1-5-3-7(9)4-6(2)8(5)10/h17-19,21-22H,4-16,20,23-24H2,1-3H3;3-4,10H,1-2H3/q+1;/p-1

InChIKey

SFCSNBYQPYPJJJ-UHFFFAOYSA-M

Smiles

c1(c(cc(cc1C)Br)C)[O-].[N+](Cc1ccccc1)(CCCCCCCCCCCCCCCC)(C)C