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Substance Name: Acid Yellow 54 free acid
RN: 68957-71-1
UNII: 83Y199VAOL
InChIKey: IWRNXXGBYMSDNZ-FMQUCBEESA-N

Molecular Formula

  • C18-H16-N4-O9-S2

Molecular Weight

  • 496.475
 
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Names and Synonyms

Name of Substance

  • Acid Yellow 54 free acid

Synonyms

  • 2-((4,5-Dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoic acid
  • UNII-83Y199VAOL

Systematic Names

  • Benzoic acid, 2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfo-
  • Benzoic acid, 2-(2-(4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)diazenyl)-4-sulfo-

Registry Numbers

CAS Registry Number

  • 68957-71-1

FDA UNII

  • 83Y199VAOL

Other Registry Numbers

  • 68400-28-2
  • 827018-86-0

System Generated Number

  • 0068957711

Structure Descriptors

InChI

1S/C18H16N4O9S2/c1-9-7-11(32(26,27)28)4-6-15(9)22-17(23)16(10(2)21-22)20-19-14-8-12(33(29,30)31)3-5-13(14)18(24)25/h3-8,16H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31)/b20-19+

InChIKey

IWRNXXGBYMSDNZ-FMQUCBEESA-N

Smiles

O=C(O)c1ccc(S(=O)(=O)O)cc1\N=N\[C@@H]1C(=O)N(N=C1C)c1c(cc(S(=O)(=O)O)cc1)C