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Substance Name: Xylidyl blue I
RN: 14936-97-1
InChIKey: LKSHJHJGLORTGD-RXQWRGDBSA-M

Molecular Formula

  • C25-H21-N3-O6-S.Na

Molecular Weight

  • 513.504
 
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Names and Synonyms

Name of Substance

  • Xylidyl blue I

Synonym

  • EINECS 239-012-8

Systematic Name

  • Sodium 3-((3-(((2,4-dimethylphenyl)amino)carbonyl)-2-hydroxy-1-naphthyl)azo)-4-hydroxybenzenesulphonate

Registry Numbers

CAS Registry Number

  • 14936-97-1

System Generated Number

  • 0014936971

Molecular Formulas

Molecular Formula

  • C25-H21-N3-O6-S.Na

Molecular Formula Fragments

  • C25-H21-N3-O6-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C25H21N3O6S.Na/c1-14-7-9-20(15(2)11-14)26-25(31)19-12-16-5-3-4-6-18(16)23(24(19)30)28-27-21-13-17(35(32,33)34)8-10-22(21)29;/h3-13,29-30H,1-2H3,(H,26,31)(H,32,33,34);/q;+1/p-1/b28-27+;

InChIKey

LKSHJHJGLORTGD-RXQWRGDBSA-M

Smiles

S(c1cc(\N=N\c2c(c(C(Nc3c(cc(cc3)C)C)=O)cc3c2cccc3)O)c(cc1)O)([O-])(=O)=O.[Na+]