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Substance Name: 2,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(4-(6-(2-(2,4-diamino-5-methylphenyl)diazenyl)-1H-benzimidazol-2-yl)phenyl)diazenyl)-5-hydroxy-6-(2-phenyldiazenyl)-
RN: 68957-65-3
InChIKey: UBZPHAFAOGJMSN-KNBGZDDISA-N

Molecular Formula

  • C36-H29-N11-O7-S2

Molecular Weight

  • 791.827
 
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Names and Synonyms

Synonym

  • 4-Amino-3-((4-(5-((2,4-diamino-5-methylphenyl)azo)-1H-benzimidazol-2-yl)phenyl)azo)-5-hydroxy-6-(phenylazo)-2,7-naphthalenedisulfonic acid

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 4-amino-3-((4-(5-((2,4-diamino-5-methylphenyl)azo)-1H-benzimidazol-2-yl)phenyl)azo)-5-hydroxy-6-(phenylazo)-
  • 2,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(4-(6-(2-(2,4-diamino-5-methylphenyl)diazenyl)-1H-benzimidazol-2-yl)phenyl)diazenyl)-5-hydroxy-6-(2-phenyldiazenyl)-

Registry Numbers

CAS Registry Number

  • 68957-65-3

System Generated Number

  • 0068957653

Structure Descriptors

InChI

1S/C36H29N11O7S2/c1-18-13-27(25(38)17-24(18)37)45-44-23-11-12-26-28(16-23)41-36(40-26)19-7-9-22(10-8-19)43-46-33-29(55(49,50)51)14-20-15-30(56(52,53)54)34(35(48)31(20)32(33)39)47-42-21-5-3-2-4-6-21/h2-17,48H,37-39H2,1H3,(H,40,41)(H,49,50,51)(H,52,53,54)/b45-44+,46-43?,47-42+

InChIKey

UBZPHAFAOGJMSN-KNBGZDDISA-N

Smiles

S(O)(=O)(=O)c1c(c(c2c(c(\N=N/c3ccc(c4nc5ccc(\N=N\c6cc(c(N)cc6N)C)cc5[nH]4)cc3)c(cc2c1)S(O)(=O)=O)N)O)\N=N\c1ccccc1