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Substance Name: Pigment Yellow 94
RN: 5580-58-5
UNII: 84429J378S
InChIKey: ADHAFJLXGIAZAN-DSZBTAPASA-N

Molecular Formula

  • C42-H32-Cl6-N8-O6

Molecular Weight

  • 957.483
 
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Names and Synonyms

Name of Substance

  • Pigment Yellow 94

Synonyms

  • EC 226-971-2
  • EINECS 226-971-2
  • UNII-84429J378S

Systematic Names

  • 3,3'-((2,5-Dichloro-p-phenylene)bis(imino(1-acetyl-2-oxoethylene)azo))bis(4-chloro-N-(5-chloro-o-tolyl)benzamide)
  • Benzamide, 3,3'-((2,5-dichloro-1,4-phenylene)bis(imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl))bis(4-chloro-N-(5-chloro-2-methylphenyl)-
  • Benzamide, 3,3'-((2,5-dichloro-1,4-phenylene)bis(imino(1-acetyl-2-oxo-2,1-ethanediyl)azo))bis(4-chloro-N-(5-chloro-2-methylphenyl)-

Registry Numbers

CAS Registry Number

  • 5580-58-5

FDA UNII

  • 84429J378S

Other Registry Numbers

  • 104625-02-7
  • 104721-61-1
  • 12225-16-0

System Generated Number

  • 0005580585

Structure Descriptors

InChI

1S/C42H32Cl6N8O6/c1-19-5-9-25(43)15-31(19)49-39(59)23-7-11-27(45)35(13-23)53-55-37(21(3)57)41(61)51-33-17-30(48)34(18-29(33)47)52-42(62)38(22(4)58)56-54-36-14-24(8-12-28(36)46)40(60)50-32-16-26(44)10-6-20(32)2/h5-18,37-38H,1-4H3,(H,49,59)(H,50,60)(H,51,61)(H,52,62)/b55-53+,56-54+

InChIKey

ADHAFJLXGIAZAN-DSZBTAPASA-N

Smiles

Clc1ccc(c(c1)NC(=O)c1ccc(c(c1)\N=N\[C@@H](C(=O)C)C(=O)Nc1c(Cl)cc(NC(=O)[C@@H](C(=O)C)\N=N\c2c(Cl)ccc(c2)C(=O)Nc2c(ccc(c2)Cl)C)c(Cl)c1)Cl)C