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Substance Name: 2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-(2-(4'-(2-(2-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-, sodium salt (1:4)
RN: 68084-09-3
InChIKey: ZWCNUFNKRHSFAK-ZSUWMTHCSA-J

Molecular Formula

  • C34-H27-N5-O16-S4.4Na

Molecular Weight

  • 977.799
 
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Names and Synonyms

Synonym

  • EINECS 268-421-4

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-((4'-((2-hydroxy-3,6-disulfo-1-naphthalenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-, tetrasodium salt
  • 2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-(2-(4'-(2-(2-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-, sodium salt (1:4)
  • Tetrasodium 5-amino-4-hydroxy-3-((4'-((2-hydroxy-3,6-disulphonato-1-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 68084-09-3

System Generated Number

  • 0068084093

Molecular Formulas

Molecular Formula

  • C34-H27-N5-O16-S4.4Na

Molecular Formula Fragments

  • C34-H27-N5-O16-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H27N5O16S4.4Na/c1-54-26-11-16(3-7-24(26)36-38-31-22-6-5-20(56(42,43)44)9-18(22)13-29(33(31)40)59(51,52)53)17-4-8-25(27(12-17)55-2)37-39-32-28(58(48,49)50)14-19-10-21(57(45,46)47)15-23(35)30(19)34(32)41;;;;/h3-15,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;/q;4*+1/p-4/b38-36+,39-37+;;;;

InChIKey

ZWCNUFNKRHSFAK-ZSUWMTHCSA-J

Smiles

S(=O)(=O)([O-])c1cc(c2c(c(\N=N\c3c(cc(c4cc(c(\N=N\c5c6c(cc(c5O)S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc6)cc4)OC)cc3)OC)c(cc2c1)S(=O)(=O)[O-])O)N.[Na+].[Na+].[Na+].[Na+]