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Substance Name: Thiazolidinium, 5-(2-(6-ethoxy-1-ethyl-2(1H)-quinolinylidene)ethylidene)-3-ethyl-3-methyl-4-oxo-2-thioxo-, 4-methylbenzenesulfonate (1:1)
RN: 68516-66-5
InChIKey: JTKUVXFPQBFUHL-FCHXBNMSSA-M

Molecular Formula

  • C21-H25-N2-O2-S2.C7-H7-O3-S

Molecular Weight

  • 572.768
 
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Names and Synonyms

Synonyms

  • 5-(2-(6-Ethoxy-1-ethyl-2(1H)-quinolinylidene)ethylidene)-3-ethyl-3-methyl-4-oxo-2-thioxo-4-thiazolidinium 4-methylbenzenesulfonate
  • EINECS 271-170-3

Systematic Names

  • 5-((6-Ethoxy-1-ethyl-(1H)-quinolin-2-ylidene)ethylidene)-3-ethyl-3-methyl-4-oxo-2-thioxothiazolidinium toluene-p-sulphonate
  • Thiazolidinium, 5-((6-ethoxy-1-ethyl-2(1H)-quinolinylidene)ethylidene)-3-ethyl-3-methyl-4-oxo-2-thioxo-, salt with 4-methylbenzenesulfonic acid (1:1)
  • Thiazolidinium, 5-(2-(6-ethoxy-1-ethyl-2(1H)-quinolinylidene)ethylidene)-3-ethyl-3-methyl-4-oxo-2-thioxo-, 4-methylbenzenesulfonate (1:1)

Registry Numbers

CAS Registry Number

  • 68516-66-5

System Generated Number

  • 0068516665

Molecular Formulas

Molecular Formula

  • C21-H25-N2-O2-S2.C7-H7-O3-S

Molecular Formula Fragments

  • C21-H25-N2-O2-S2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25N2O2S2.C7H8O3S/c1-5-22-16(9-8-15-14-17(25-7-3)11-12-18(15)22)10-13-19-20(24)23(4,6-2)21(26)27-19;1-6-2-4-7(5-3-6)11(8,9)10/h8-14H,5-7H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b16-10+,19-13-;

InChIKey

JTKUVXFPQBFUHL-FCHXBNMSSA-M

Smiles

c1(ccc(cc1)C)S(=O)(=O)[O-].S1C([N@@+](C(\C1=C\C=C1\N(c2ccc(cc2C=C1)OCC)CC)=O)(C)CC)=S