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Substance Name: 9-(2-Carboxyphenyl)-3,6-bis((2,6-dimethylphenyl)amino)xanthylium chloride
RN: 85117-96-0
InChIKey: OMPQQYPHVQPHHV-UHFFFAOYSA-N

Molecular Formula

  • C36-H31-N2-O3.Cl

Molecular Weight

  • 575.1049
 
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Names and Synonyms

Synonym

  • EINECS 285-647-9

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 85117-96-0

System Generated Number

  • 0085117960

Molecular Formulas

Molecular Formula

  • C36-H31-N2-O3.Cl

Molecular Formula Fragments

  • C36-H31-N2-O3
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C36H30N2O3.ClH/c1-21-9-7-10-22(2)34(21)37-25-15-17-29-31(19-25)41-32-20-26(38-35-23(3)11-8-12-24(35)4)16-18-30(32)33(29)27-13-5-6-14-28(27)36(39)40;/h5-20,37-38H,1-4H3;1H

InChIKey

OMPQQYPHVQPHHV-UHFFFAOYSA-N

Smiles

[Cl-].c1c(c(ccc1)c1c2c([o+]c3c1ccc(Nc1c(cccc1C)C)c3)cc(Nc1c(cccc1C)C)cc2)C(=O)O