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Substance Name: NSC98247
RN: 2870-25-9
InChIKey: AVSCCTYPDCTQFC-UHFFFAOYSA-N

Molecular Formula

  • C9-H13-S.C6-H3-N3-O9-S

Molecular Weight

  • 446.4354
 
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Names and Synonyms

Results Name

  • NSC98247

Synonym

  • NSC 98247

Systematic Name

  • Sulfonium, dimethyl-p-tolyl-, 2,4,6-trinitrobenzenesulfonte

Registry Numbers

CAS Registry Number

  • 2870-25-9

System Generated Number

  • 0002870259

Molecular Formulas

Molecular Formula

  • C9-H13-S.C6-H3-N3-O9-S

Molecular Formula Fragments

  • C6-H3-N3-O9-S
  • C9-H13-S
  • COMPONENT

Structure Descriptors

InChI

1S/C9H13S.C6H3N3O9S/c1-8-4-6-9(7-5-8)10(2)3;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h4-7H,1-3H3;1-2H,(H,16,17,18)/q+1;

InChIKey

AVSCCTYPDCTQFC-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)[S+](C)C.c1c(cc(c(c1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]