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Substance Name: 1,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(4'-(2-(1-amino-4-sulfo-2-naphthalenyl)diazenyl)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)diazenyl)-, sodium salt (1:3)
RN: 65152-15-0
InChIKey: KABQNSURLZIYJF-WFQXTUNASA-K

Molecular Formula

  • C34-H28-N6-O9-S3.3Na

Molecular Weight

  • 826.773
 
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Names and Synonyms

Synonym

  • 1,7-Naphthalenedisulfonic acid, 4-amino-3-((4'-((1-amino-4-sulfo-2-naphthyl)azo)-3,3'-dimethyl-4-biphenylyl)azo)-, trisodium salt

Systematic Names

  • 1,7-Naphthalenedisulfonic acid, 4-amino-3-((4'-((1-amino-4-sulfo-2-naphthalenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-, trisodium salt
  • 1,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(4'-(2-(1-amino-4-sulfo-2-naphthalenyl)diazenyl)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)diazenyl)-, sodium salt (1:3)

Registry Numbers

CAS Registry Number

  • 65152-15-0

System Generated Number

  • 0065152150

Molecular Formulas

Molecular Formula

  • C34-H28-N6-O9-S3.3Na

Molecular Formula Fragments

  • C34-H28-N6-O9-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H28N6O9S3.3Na/c1-18-13-20(7-11-27(18)37-39-29-16-31(51(44,45)46)23-5-3-4-6-24(23)33(29)35)21-8-12-28(19(2)14-21)38-40-30-17-32(52(47,48)49)26-15-22(50(41,42)43)9-10-25(26)34(30)36;;;/h3-17H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3/b39-37+,40-38+;;;

InChIKey

KABQNSURLZIYJF-WFQXTUNASA-K

Smiles

S([O-])(=O)(c1ccc2c(c(\N=N\c3c(cc(c4cc(c(\N=N\c5c(c6c(c(c5)S(=O)(=O)[O-])cccc6)N)cc4)C)cc3)C)cc(c2c1)S(=O)(=O)[O-])N)=O.[Na+].[Na+].[Na+]