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Substance Name: 9-(2-Carboxyphenyl)-3,6-bis((o-tolyl)amino)xanthylium chloride
RN: 81263-05-0
InChIKey: KKYGOZCBKPGINR-UHFFFAOYSA-N

Molecular Formula

  • C34-H27-N2-O3.Cl

Molecular Weight

  • 547.0513
 
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Names and Synonyms

Synonym

  • EINECS 279-714-1

Systematic Name

  • 9-(2-Carboxyphenyl)-3,6-bis((o-tolyl)amino)xanthylium chloride

Registry Numbers

CAS Registry Number

  • 81263-05-0

System Generated Number

  • 0081263050

Molecular Formulas

Molecular Formula

  • C34-H27-N2-O3.Cl

Molecular Formula Fragments

  • C34-H27-N2-O3
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C34H26N2O3.ClH/c1-21-9-3-7-13-29(21)35-23-15-17-27-31(19-23)39-32-20-24(36-30-14-8-4-10-22(30)2)16-18-28(32)33(27)25-11-5-6-12-26(25)34(37)38;/h3-20,35-36H,1-2H3;1H

InChIKey

KKYGOZCBKPGINR-UHFFFAOYSA-N

Smiles

[Cl-].c1(c(C(=O)O)cccc1)c1c2c([o+]c3c1ccc(c3)Nc1c(C)cccc1)cc(Nc1c(C)cccc1)cc2