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Substance Name: Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfate (1:1)
RN: 26694-69-9
InChIKey: JQMYOJYEBJFAHA-UHFFFAOYSA-M

Classification Codes

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)
  • TSCA Flag S (Substance is Identified in a Proposed or Final SNUR (Significant New Use Rule) under TSCA)

Molecular Formula

  • C28-H31-N2-O3.C2-H5-O4-S

Molecular Weight

  • 568.687
 
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Names and Synonyms

Synonym

  • EINECS 247-906-4

Systematic Names

  • 9-(2-(Ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium ethyl sulphate
  • Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfate
  • Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfate (1:1)

Registry Numbers

CAS Registry Number

  • 26694-69-9

Other Registry Number

  • 129223-64-9

System Generated Number

  • 0026694699

Molecular Formulas

Molecular Formula

  • C28-H31-N2-O3.C2-H5-O4-S

Molecular Formula Fragments

  • C2-H5-O4-S
  • C28-H31-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C28H31N2O3.C2H6O4S/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;1-2-6-7(3,4)5/h9-16,29-30H,6-8H2,1-5H3;2H2,1H3,(H,3,4,5)/q+1;/p-1

InChIKey

JQMYOJYEBJFAHA-UHFFFAOYSA-M

Smiles

[o+]1c2cc(c(cc2c(c2c(cccc2)C(OCC)=O)c2cc(C)c(cc12)NCC)C)NCC.S(=O)(=O)([O-])OCC