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Substance Name: Aziridinium, 1-benzyl-1-ethyl-, picrylsulfonate
ID: CM89490000
InChIKey: PFWPQJGRAPHALY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-N.C6-H3-N3-O9-S

Molecular Weight

  • 455.4221
 
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Names and Synonyms

Synonyms

  • 1-Benzyl-1-ethylaziridinium 2,4,6-trinitrobenzenesulfonate
  • P 1

Systematic Name

  • Aziridinium, 1-benzyl-1-ethyl-, picrylsulfonate

Registry Numbers

ID Number

  • NIOSH/CM8949000

System Generated Number

  • CM89490000

Molecular Formulas

Molecular Formula

  • C11-H16-N.C6-H3-N3-O9-S

Molecular Formula Fragments

  • C11-H16-N
  • C6-H3-N3-O9-S
  • COMPONENT

Structure Descriptors

InChI

1S/C11H16N.C6H3N3O9S/c1-2-12(8-9-12)10-11-6-4-3-5-7-11;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h3-7H,2,8-10H2,1H3;1-2H,(H,16,17,18)/q+1;

InChIKey

PFWPQJGRAPHALY-UHFFFAOYSA-N

Smiles

CC[N+]1(Cc2ccccc2)CC1.OS(=O)(=O)c3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]