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Substance Name: Aniline, 4,4'-pentamethylenedioxybis(2-chloro-, bis(methanesulfonate)
ID: BY79215000
InChIKey: JEIRRVOUBISKCM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-Cl-N2-O2.2C-H4-O3-S

Molecular Weight

  • 547.4742
 
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Names and Synonyms

Synonyms

  • 4,4'-Pentamethylenedioxybis(2-chloroaniline) bis(methanesulfonate)
  • M & B 2623

Systematic Name

  • Aniline, 4,4'-pentamethylenedioxybis(2-chloro-, bis(methanesulfonate)

Registry Numbers

ID Number

  • NIOSH/BY7921500

System Generated Number

  • BY79215000

Molecular Formulas

Molecular Formula

  • C17-H20-Cl-N2-O2.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C17-H20-Cl-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C17H20Cl2N2O2.2CH4O3S/c18-14-10-12(4-6-16(14)20)22-8-2-1-3-9-23-13-5-7-17(21)15(19)11-13;2*1-5(2,3)4/h4-7,10-11H,1-3,8-9,20-21H2;2*1H3,(H,2,3,4)

InChIKey

JEIRRVOUBISKCM-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.CS(=O)(=O)O.Nc1ccc(OCCCCCOc2ccc(N)c(Cl)c2)cc1Cl