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Substance Name: 3H-Indolium, 1,2,3,3-tetramethyl-5-nitro-, 4-methylbenzenesulfonate (1:1)
RN: 34503-94-1
InChIKey: IQRAMDGRLXOQLZ-UHFFFAOYSA-M

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C12-H15-N2-O2.C7-H7-O3-S

Molecular Weight

  • 390.4578
 
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Names and Synonyms

  • 3H-Indolium, 1,2,3,3-tetramethyl-5-nitro-, 4-methylbenzenesulfonate (1:1)
  • 3H-Indolium, 1,2,3,3-tetramethyl-5-nitro-, salt with 4-methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 34503-94-1

System Generated Number

  • 0034503941

Molecular Formulas

Molecular Formula

  • C12-H15-N2-O2.C7-H7-O3-S

Molecular Formula Fragments

  • C12-H15-N2-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C12H15N2O2.C7H8O3S/c1-8-12(2,3)10-7-9(14(15)16)5-6-11(10)13(8)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-7H,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

IQRAMDGRLXOQLZ-UHFFFAOYSA-M

Smiles

[N+]1(=C(C(c2c1ccc([N+](=O)[O-])c2)(C)C)C)C.S(=O)(=O)(c1ccc(cc1)C)[O-]