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Substance Name: Benzoic acid, 5-(2-(4-((((4-(2-(3-carboxy-4-hydroxyphenyl)diazenyl)phenyl)amino)carbonyl)amino)phenyl)diazenyl)-2-hydroxy-3-methyl-, sodium salt (1:2)
RN: 67874-60-6
InChIKey: AUMQNJSSSLVXEE-KZIIJSKASA-L

Molecular Formula

  • C28-H22-N6-O7.2Na

Molecular Weight

  • 598.481
 
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Names and Synonyms

Synonym

  • EINECS 267-487-1

Systematic Names

  • Benzoic acid, 5-((4-((((4-((3-carboxy-4-hydroxyphenyl)azo)phenyl)amino)carbonyl)amino)phenyl)azo)-2-hydroxy-3-methyl-, disodium salt
  • Benzoic acid, 5-(2-(4-((((4-(2-(3-carboxy-4-hydroxyphenyl)diazenyl)phenyl)amino)carbonyl)amino)phenyl)diazenyl)-2-hydroxy-3-methyl-, sodium salt (1:2)
  • Disodium 5-((4-((((4-((3-carboxylato-4-hydroxyphenyl)azo)phenyl)amino)carbonyl)amino)phenyl)azo)-3-methylsalicylate

Registry Numbers

CAS Registry Number

  • 67874-60-6

System Generated Number

  • 0067874606

Molecular Formulas

Molecular Formula

  • C28-H22-N6-O7.2Na

Molecular Formula Fragments

  • C28-H22-N6-O7
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H22N6O7.2Na/c1-15-12-21(14-23(25(15)36)27(39)40)34-32-19-8-4-17(5-9-19)30-28(41)29-16-2-6-18(7-3-16)31-33-20-10-11-24(35)22(13-20)26(37)38;;/h2-14,35-36H,1H3,(H,37,38)(H,39,40)(H2,29,30,41);;/q;2*+1/p-2/b33-31+,34-32+;;

InChIKey

AUMQNJSSSLVXEE-KZIIJSKASA-L

Smiles

[O-]C(=O)c1c(O)ccc(\N=N\c2ccc(NC(=O)Nc3ccc(\N=N\c4cc(C)c(O)c(C(=O)[O-])c4)cc3)cc2)c1.[Na+].[Na+]