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Substance Name: 3H-Indolium, 2-((2-(4-chlorophenyl)-2-methylhydrazinylidene)methyl)-1-ethyl-3,3-dimethyl-, dodecyl(sulfophenoxy)benzenesulfonate (2:1)
RN: 115728-93-3
InChIKey: JQSYJLBFPUNORC-UHFFFAOYSA-N

Classification Code

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

Molecular Formula

  • C24-H32-O7-S2.2C20-H23-Cl-N3

Molecular Weight

  • 1178.3932
 
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Names and Synonyms

  • 3H-Indolium, 2-(((4-chlorophenyl)methylhydrazono)methyl)-1-ethyl-3,3-dimethyl-, salt with dodecyl(sulfophenoxy)benzenesulfonic acid (2:1)
  • 3H-Indolium, 2-((2-(4-chlorophenyl)-2-methylhydrazinylidene)methyl)-1-ethyl-3,3-dimethyl-, dodecyl(sulfophenoxy)benzenesulfonate (2:1)

Registry Numbers

CAS Registry Number

  • 115728-93-3

System Generated Number

  • 0115728933

Molecular Formulas

Molecular Formula

  • C24-H32-O7-S2.2C20-H23-Cl-N3

Molecular Formula Fragments

  • C20-H23-Cl-N3
  • C24-H32-O7-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C24H34O7S2.2C20H22ClN3/c1-2-3-4-5-6-7-8-9-10-11-15-20-16-14-19-23(33(28,29)30)24(20)31-21-17-12-13-18-22(21)32(25,26)27;2*1-4-24-18-8-6-5-7-17(18)20(2,3)19(24)14-23-22-13-15-9-11-16(21)12-10-15/h12-14,16-19H,2-11,15H2,1H3,(H,25,26,27)(H,28,29,30);2*5-12,14H,4,13H2,1-3H3

InChIKey

JQSYJLBFPUNORC-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1)CCCCCCCCCCCC)Oc1c(cccc1)S(=O)(=O)[O-])S(=O)(=O)[O-].[N+]1(=C(C(c2ccccc12)(C)C)/C=N/NCc1ccc(cc1)Cl)CC.[N+]1(=C(C(c2ccccc12)(C)C)/C=N/NCc1ccc(cc1)Cl)CC