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Substance Name: C.I. Acid Red 112
RN: 6226-79-5
UNII: T1C2UGS05F
InChIKey: KQHKSGRIBYJYFX-WNDMICSESA-J

Classification Codes

  • Coloring Agents
  • Mutation Data

Molecular Formula

  • C22-H16-N4-O13-S4.4Na

Molecular Weight

  • 760.5758
 
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Names and Synonyms

Results Name

  • C.I. Acid Red 112

Name of Substance

  • Ponceau S

Synonyms

  • 2-Hydroxy-1-((4((4-sulfophenyl)azo)-2-sulfophenyl)azo)naphthalene-3,6-disulfonic acid, tetrasodium salt
  • C.I. 27195
  • C.I. Acid Red 112
  • EINECS 228-319-2
  • NSC 16216
  • Ponceau Red S
  • Ponceau S
  • Ponceau S Extra
  • UNII-T1C2UGS05F

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-((2-sulfo-4-((4-sulfophenyl)azo)phenyl)azo)-, tetrasodium salt
  • 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-(2-(2-sulfo-4-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-, sodium salt (1:4)
  • C.I. Acid Red 112, tetrasodium salt (8CI)
  • Tetrasodium 3-hydroxy-4-(2-sulphonato-4-(4-sulphonatophenylazo)phenylazo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 6226-79-5

FDA UNII

  • T1C2UGS05F

System Generated Number

  • 0006226795

Molecular Formulas

Molecular Formula

  • C22-H16-N4-O13-S4.4Na

Molecular Formula Fragments

  • C22-H16-N4-O13-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C22H16N4O13S4.4Na/c27-22-20(43(37,38)39)10-12-9-16(41(31,32)33)6-7-17(12)21(22)26-25-18-8-3-14(11-19(18)42(34,35)36)24-23-13-1-4-15(5-2-13)40(28,29)30;;;;/h1-11,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;;/q;4*+1/p-4/b24-23+,26-25+;;;;

InChIKey

KQHKSGRIBYJYFX-WNDMICSESA-J

Smiles

c1cc(ccc1/N=N/c2ccc(c(c2)S(=O)(=O)[O-])/N=N/c3c4ccc(cc4cc(c3O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]