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Substance Name: Benzyldodecyldimethylammonium, salt with 1,2-benzisothiazol-3(2H)-one (1:1)
RN: 97337-82-1
InChIKey: CQTPDFUMRPBHBA-UHFFFAOYSA-M

Molecular Formula

  • C21-H38-N.C7-H4-N-O-S

Molecular Weight

  • 454.7188
 
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Names and Synonyms

Synonym

  • EINECS 306-576-2

Systematic Name

  • Benzyldodecyldimethylammonium, salt with 1,2-benzisothiazol-3(2H)-one (1:1)

Registry Numbers

CAS Registry Number

  • 97337-82-1

System Generated Number

  • 0097337821

Molecular Formulas

Molecular Formula

  • C21-H38-N.C7-H4-N-O-S

Molecular Formula Fragments

  • C21-H38-N
  • C7-H4-N-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H38N.C7H5NOS/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;9-7-5-3-1-2-4-6(5)10-8-7/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1-4H,(H,8,9)/q+1;/p-1

InChIKey

CQTPDFUMRPBHBA-UHFFFAOYSA-M

Smiles

CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.c1ccc2c(c1)c(=O)[n-]s2