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Substance Name: Acid orange 51
RN: 8003-88-1
InChIKey: HBINTOQGSKHKJI-ICUBATCWSA-L

Note

  • Dye.

Molecular Formula

  • C36-H28-N6-O11-S3.2Na

Molecular Weight

  • 860.81
 
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Names and Synonyms

Name of Substance

  • Acid orange 51

Synonyms

  • C.I. Acid Orange 51
  • EINECS 232-328-7

Systematic Names

  • 2-Naphthalenesulfonic acid, 5(or 8)-((3-methyl-4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)-8(or 5)-((4-((4-nitro-2-sulfophenyl)amino)phenyl)azo)-, disodium salt
  • Benzenesulfonic acid, 5(or 8)-(2-(3-methyl-4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)-8(or 5)-(2-(4-((4-nitro-2-sulfophenyl)amino)phenyl)diazenyl)-, sodium salt (1:2)
  • Disodium 5(or 8)-(3-methyl-4-(4-methylphenylsulphonyloxy)phenylazo)-8(or 5)-(4-(4-nitro-2-sulphophenylamino)phenylazo)naphthalene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 8003-88-1

Other Registry Number

  • 73681-17-1

System Generated Number

  • 0008003881

Molecular Formulas

Molecular Formula

  • C36-H28-N6-O11-S3.2Na

Molecular Formula Fragments

  • C36-H28-N6-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H28N6O11S3.2Na/c1-22-3-11-28(12-4-22)56(51,52)53-35-18-9-26(19-23(35)2)39-41-33-17-16-32(30-14-13-29(21-31(30)33)54(45,46)47)40-38-25-7-5-24(6-8-25)37-34-15-10-27(42(43)44)20-36(34)55(48,49)50;;/h3-21,37H,1-2H3,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2/b40-38+,41-39+;;

InChIKey

HBINTOQGSKHKJI-ICUBATCWSA-L

Smiles

c1(cc(ccc1Nc1ccc(cc1)\N=N\c1ccc(c2cc(ccc12)S(=O)(=O)[O-])\N=N\c1cc(c(cc1)OS(=O)(=O)c1ccc(cc1)C)C)[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]