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Substance Name: C.I. 30110
RN: 2586-58-5
InChIKey: LQLLXIYULIMXDU-DXGZCERQSA-L

Classification Codes

  • Mutation Data
  • TSCA Flag S (Substance is Identified in a Proposed or Final SNUR (Significant New Use Rule) under TSCA)

Molecular Formulas

  • C32-H24-N8-O6-S.2Na
  • C32-H26-N8-O6-S.2Na

Molecular Weight

  • 694.638
 
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Names and Synonyms

Results Name

  • C.I. 30110

Synonyms

  • Atlantic Brown D 3Y
  • Atul Direct Brown CN
  • Benzo Brown D 3GA-CF
  • C.I. 30110
  • C.I. Direct Brown 1:2
  • C.I. Direct Brown 1A, disodium salt
  • Chlorazol Orange Brown X
  • Diphenyl Brown PT
  • Direct Brown 1:2
  • Direct Brown 1A
  • Direct Brown 2GS
  • Direct Brown 5C
  • Direct Brown 5G
  • Direct Brown CGN
  • EINECS 219-965-6
  • Enianil Brown 2GS
  • Fixanol Orange Brown X
  • Honey Yellow 3GNT
  • Oxydiamine Brown 3GN
  • Phenamine Brown D 3G
  • Pontamine Brown D 3GN
  • Pontamine Brown NCR

Systematic Names

  • Benzoic acid, 5-((4'-((2,6-diamino-3-methyl-5-((4-sulfophenyl)azo)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-, disodium salt
  • Benzoic acid, 5-(2-(4'-(2-(2,6-diamino-3-methyl-5-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, sodium salt (1:2)
  • Disodium 5-((4'-((2,6-diamino-3-methyl-5-((4-sulphonatophenyl)azo)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)salicylate

Registry Numbers

CAS Registry Number

  • 2586-58-5

System Generated Number

  • 0002586585

Molecular Formulas

Molecular Formulas

  • C32-H24-N8-O6-S.2Na
  • C32-H26-N8-O6-S.2Na

Molecular Formula Fragments

  • C32-H24-N8-O6-S
  • C32-H26-N8-O6-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C32H26N8O6S.2Na/c1-18-16-27(39-36-23-10-13-25(14-11-23)47(44,45)46)30(34)31(29(18)33)40-37-22-8-4-20(5-9-22)19-2-6-21(7-3-19)35-38-24-12-15-28(41)26(17-24)32(42)43;;/h2-17,41H,33-34H2,1H3,(H,42,43)(H,44,45,46);;/q;2*+1/p-2/b38-35+,39-36+,40-37+;;

InChIKey

LQLLXIYULIMXDU-DXGZCERQSA-L

Smiles

c1(c2ccc(\N=N\c3cc(c(O)cc3)C(=O)[O-])cc2)ccc(\N=N\c2c(c(\N=N\c3ccc(S(=O)(=O)[O-])cc3)cc(c2N)C)N)cc1.[Na+].[Na+]