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Substance Name: (ar,ar-Dichlorobenzyl)dodecyldimethylammonium 4-chloro-alpha-phenyl-o-cresolate
RN: 85940-47-2
InChIKey: JJBCGVNLFZEWOV-UHFFFAOYSA-M

Molecular Formula

  • C21-H36-Cl2-N.C13-H10-Cl-O

Molecular Weight

  • 591.1024
 
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Names and Synonyms

Synonym

  • EINECS 288-933-1

Systematic Name

  • (ar,ar-Dichlorobenzyl)dodecyldimethylammonium 4-chloro-alpha-phenyl-o-cresolate

Registry Numbers

CAS Registry Number

  • 85940-47-2

System Generated Number

  • 0085940472

Molecular Formulas

Molecular Formula

  • C21-H36-Cl2-N.C13-H10-Cl-O

Molecular Formula Fragments

  • C13-H10-Cl-O
  • C21-H36-Cl2-N
  • COMPONENT

Structure Descriptors

InChI

1S/C21H36Cl2N.C13H11ClO/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;14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h13-15,17-18H,4-12,16,19H2,1-3H3;1-7,9,15H,8H2/q+1;/p-1

InChIKey

JJBCGVNLFZEWOV-UHFFFAOYSA-M

Smiles

CCCCCCCCCCCC[N+](C)(C)C(c1ccccc1)(Cl)Cl.c1ccc(cc1)Cc2cc(ccc2[O-])Cl