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Substance Name: (Dichlorobenzyl)dodecyldimethylammonium, salt with 4-bromo-2,6-xylenol (1:1)
RN: 85940-48-3
InChIKey: VUHBITFSOQSNLF-UHFFFAOYSA-M

Molecular Formula

  • C21-H36-Cl2-N.C8-H8-Br-O

Molecular Weight

  • 573.4826
 
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Names and Synonyms

Synonym

  • EINECS 288-934-7

Systematic Name

  • (Dichlorobenzyl)dodecyldimethylammonium, salt with 4-bromo-2,6-xylenol (1:1)

Registry Numbers

CAS Registry Number

  • 85940-48-3

System Generated Number

  • 0085940483

Molecular Formulas

Molecular Formula

  • C21-H36-Cl2-N.C8-H8-Br-O

Molecular Formula Fragments

  • C21-H36-Cl2-N
  • C8-H8-Br-O
  • COMPONENT

Structure Descriptors

InChI

1S/C21H36Cl2N.C8H9BrO/c1-4-5-6-7-8-9-10-11-12-16-19-24(2,3)21(22,23)20-17-14-13-15-18-20;1-5-3-7(9)4-6(2)8(5)10/h13-15,17-18H,4-12,16,19H2,1-3H3;3-4,10H,1-2H3/q+1;/p-1

InChIKey

VUHBITFSOQSNLF-UHFFFAOYSA-M

Smiles

CCCCCCCCCCCC[N+](C)(C)C(c1ccccc1)(Cl)Cl.Cc1cc(cc(c1[O-])C)Br