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Substance Name: Direct Orange 29
RN: 6420-40-2
UNII: 63D33NL2WY
InChIKey: PEOPCYPUNAFTEZ-WFQXTUNASA-K

Molecular Formula

  • C34-H24-N6-O11-S2.3Na

Molecular Weight

  • 822.6729
 
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Names and Synonyms

Name of Substance

  • Direct Orange 29

Synonyms

  • EINECS 229-161-7
  • UNII-63D33NL2WY

Systematic Names

  • Benzoic acid, 3-((1-hydroxy-6-((((5-hydroxy-6-(phenylazo)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)azo)-, trisodium salt
  • Benzoic acid, 3-(2-(1-hydroxy-6-((((5-hydroxy-6-(2-phenyldiazenyl)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3)
  • Trisodium 3-((1-hydroxy-6-((((5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl)amino)carbonyl)amino)-3-sulphonato-2-naphthyl)azo)benzoate

Registry Numbers

CAS Registry Number

  • 6420-40-2

FDA UNII

  • 63D33NL2WY

System Generated Number

  • 0006420402

Molecular Formulas

Molecular Formula

  • C34-H24-N6-O11-S2.3Na

Molecular Formula Fragments

  • C34-H24-N6-O11-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H24N6O11S2.3Na/c41-31-25-11-9-22(14-19(25)16-27(52(46,47)48)29(31)39-37-21-6-2-1-3-7-21)35-34(45)36-23-10-12-26-20(15-23)17-28(53(49,50)51)30(32(26)42)40-38-24-8-4-5-18(13-24)33(43)44;;;/h1-17,41-42H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3/b39-37+,40-38+;;;

InChIKey

PEOPCYPUNAFTEZ-WFQXTUNASA-K

Smiles

[Na+].[Na+].[Na+].Oc1c(N=Nc2ccccc2)c(cc3cc(NC(=O)Nc4ccc5c(O)c(N=Nc6cccc(c6)C(=O)[O-])c(cc5c4)S(=O)(=O)[O-])ccc13)S(=O)(=O)[O-]