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Substance Name: Pigment yellow 61:1
RN: 5280-69-3
InChIKey: HRCWDEIZUGFKOT-VFUQPONKSA-L

Molecular Formula

  • C16-H14-N4-O7-S.1/2Ba

Molecular Weight

  • 948.061
 
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Names and Synonyms

Results Name

  • Pigment yellow 61:1

Synonyms

  • C.I. Pigment yellow 61:1
  • EINECS 226-104-8

Systematic Names

  • Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate)
  • Benzenesulfonic acid, 3-nitro-4-((2-oxo-1-((phenylamino)carbonyl)propyl)azo)-, barium salt (2:1)
  • Benzenesulfonic acid, 3-nitro-4-(2-(2-oxo-1-((phenylamino)carbonyl)propyl)diazenyl)-, barium salt (2:1)

Registry Numbers

CAS Registry Number

  • 5280-69-3

Other Registry Number

  • 71216-07-4

System Generated Number

  • 0005280693

Molecular Formulas

Molecular Formula

  • C16-H14-N4-O7-S.1/2Ba

Molecular Formula Fragments

  • Ba
  • C16-H14-N4-O7-S
  • COMPONENT

Structure Descriptors

InChI

1S/2C16H14N4O7S.Ba/c2*1-10(21)15(16(22)17-11-5-3-2-4-6-11)19-18-13-8-7-12(28(25,26)27)9-14(13)20(23)24;/h2*2-9,15H,1H3,(H,17,22)(H,25,26,27);/q;;+2/p-2/b2*19-18+;

InChIKey

HRCWDEIZUGFKOT-VFUQPONKSA-L

Smiles

[Ba+2].S(=O)(=O)([O-])c1ccc(c(c1)[N+](=O)[O-])\N=N\[C@@H](C(=O)C)C(=O)Nc1ccccc1.S(=O)(=O)([O-])c1cc([N+](=O)[O-])c(\N=N\[C@@H](C(=O)C)C(=O)Nc2ccccc2)cc1