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Substance Name: 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-(2-(4'-(2-(1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-, sodium salt (1:3)
RN: 68084-25-3
InChIKey: ZZPKGZACGOSMHY-JVQXNHMDSA-K

Molecular Formula

  • C40-H31-N5-O13-S3.3Na

Molecular Weight

  • 951.851
 
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Names and Synonyms

  • 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-((4'-((1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-, trisodium salt
  • 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-(2-(4'-(2-(1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-, sodium salt (1:3)

Registry Numbers

CAS Registry Number

  • 68084-25-3

System Generated Number

  • 0068084253

Molecular Formulas

Molecular Formula

  • C40-H31-N5-O13-S3.3Na

Molecular Formula Fragments

  • C40-H31-N5-O13-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C40H31N5O13S3.3Na/c1-57-33-18-22(8-14-31(33)42-44-37-29-13-11-28(59(48,49)50)17-25(29)21-36(40(37)47)61(54,55)56)23-9-15-32(34(19-23)58-2)43-45-38-35(60(51,52)53)20-24-16-27(10-12-30(24)39(38)46)41-26-6-4-3-5-7-26;;;/h3-21,41,46-47H,1-2H3,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3/b44-42+,45-43+;;;

InChIKey

ZZPKGZACGOSMHY-JVQXNHMDSA-K

Smiles

S(=O)(=O)(c1ccc2c(\N=N\c3c(cc(c4cc(c(\N=N\c5c(c6c(cc5S(=O)(=O)[O-])cc(Nc5ccccc5)cc6)O)cc4)OC)cc3)OC)c(c(cc2c1)S(=O)(=O)[O-])O)[O-].[Na+].[Na+].[Na+]