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Substance Name: Aniline, 4,4'-(2-butyn-1,4-ylenedioxy)di-, bis(methanesulfonate)
ID: BW98700000
InChIKey: XKDKKCLGKHVDSH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-N2-O2.2C-H4-O3-S

Molecular Weight

  • 460.5256
 
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Names and Synonyms

Synonyms

  • 4,4'-(2-Butyn-1,4-ylenedioxy)dianiline bis(methanesulfonate)
  • M & B 2616

Systematic Name

  • Aniline, 4,4'-(2-butyn-1,4-ylenedioxy)di-, bis(methanesulfonate)

Registry Numbers

ID Number

  • NIOSH/BW9870000

System Generated Number

  • BW98700000

Molecular Formulas

Molecular Formula

  • C16-H16-N2-O2.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C16-H16-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C16H16N2O2.2CH4O3S/c17-13-3-7-15(8-4-13)19-11-1-2-12-20-16-9-5-14(18)6-10-16;2*1-5(2,3)4/h3-10H,11-12,17-18H2;2*1H3,(H,2,3,4)

InChIKey

XKDKKCLGKHVDSH-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.CS(=O)(=O)O.Nc1ccc(OCC#CCOc2ccc(N)cc2)cc1