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Substance Name: Orange B free acid
RN: 732922-62-2
UNII: 13D01Z5SBP
InChIKey: CZKAWHARUCUKNT-WCWDXBQESA-N

Molecular Formula

  • C22-H18-N4-O9-S2

Molecular Weight

  • 546.5352
 
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Names and Synonyms

Name of Substance

  • Orange B free acid

Synonyms

  • 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-(2-(4-sulfo-1-naphthalenyl)diazenyl)-1-(4-sulfophenyl)-, 3-ethyl ester
  • C.i. acid Orange 137 parent
  • Orange B free acid
  • UNII-13D01Z5SBP

Registry Numbers

CAS Registry Number

  • 732922-62-2

FDA UNII

  • 13D01Z5SBP

System Generated Number

  • 0732922622

Structure Descriptors

InChI

1S/C22H18N4O9S2/c1-2-35-22(28)20-19(21(27)26(25-20)13-7-9-14(10-8-13)36(29,30)31)24-23-17-11-12-18(37(32,33)34)16-6-4-3-5-15(16)17/h3-12,25H,2H2,1H3,(H,29,30,31)(H,32,33,34)/b24-23+

InChIKey

CZKAWHARUCUKNT-WCWDXBQESA-N

Smiles

CCOC(=O)C1=C(N=Nc2ccc(c3ccccc23)S(=O)(=O)O)C(=O)N(N1)c4ccc(cc4)S(=O)(=O)O