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Substance Name: Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 4-methylbenzenesulfonate (1:1)
RN: 63512-57-2
InChIKey: QSARWKVCXBYGKA-UHFFFAOYSA-M

Molecular Formula

  • C18-H18-N-S.C7-H7-O3-S

Molecular Weight

  • 451.608
 
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Names and Synonyms

Synonym

  • Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, salt with 4-methylbenzenesulfonic acid (1:1)

Systematic Names

  • Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 4-methylbenzenesulfonate (1:1)
  • Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, salt with 4-methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 63512-57-2

System Generated Number

  • 0063512572

Molecular Formulas

Molecular Formula

  • C18-H18-N-S.C7-H7-O3-S

Molecular Formula Fragments

  • C18-H18-N-S
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C18H18NS.C7H8O3S/c1-3-19-17-11-9-14(2)13-15(17)10-12-18(19)20-16-7-5-4-6-8-16;1-6-2-4-7(5-3-6)11(8,9)10/h4-13H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

QSARWKVCXBYGKA-UHFFFAOYSA-M

Smiles

[n+]1(c(Sc2ccccc2)ccc2c1ccc(c2)C)CC.c1cc(ccc1S(=O)(=O)[O-])C