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Substance Name: 3(2H)-Isothiazolone, 5-chloro-2-((4-chlorophenyl)methyl)-, compd. with 2-((4-chlorophenyl)methyl)-3(2H)-isothiazolone (1:1)
RN: 83542-80-7
InChIKey: UVIJJUMEXHOHRC-UHFFFAOYSA-N

Molecular Formula

  • C10-H8-Cl-N-O-S.C10-H7-Cl2-N-O-S

Molecular Weight

  • 485.8415
 
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Names and Synonyms

Synonym

  • 5-Chloro-2-(4-chlorobenzyl)-3(2H)-isothiazolone compd. with 2-(4-chlorobenzyl)-3(2H)-isothiazolone (1:1)

Systematic Names

  • 3(2H)-Isothiazolone, 5-chloro-2-((4-chlorophenyl)methyl)-, compd. with 2-((4-chlorophenyl)meth
  • 3(2H)-Isothiazolone, 5-chloro-2-((4-chlorophenyl)methyl)-, compd. with 2-((4-chlorophenyl)methyl)-3(2H)-isothiazolone (1:1)

Registry Numbers

CAS Registry Number

  • 83542-80-7

System Generated Number

  • 0083542807

Molecular Formulas

Molecular Formula

  • C10-H8-Cl-N-O-S.C10-H7-Cl2-N-O-S

Molecular Formula Fragments

  • C10-H7-Cl2-N-O-S
  • C10-H8-Cl-N-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C10H7Cl2NOS.C10H8ClNOS/c11-8-3-1-7(2-4-8)6-13-10(14)5-9(12)15-13;11-9-3-1-8(2-4-9)7-12-10(13)5-6-14-12/h1-5H,6H2;1-6H,7H2

InChIKey

UVIJJUMEXHOHRC-UHFFFAOYSA-N

Smiles

c1cc(ccc1Cn2c(=O)ccs2)Cl.c1cc(ccc1Cn2c(=O)cc(s2)Cl)Cl