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Substance Name: 2-Naphthalenesulfonic acid, 7-((3-aminobenzoyl)amino)-3-(2-(2,5-dimethoxy-4-(2-(7-sulfo-4-(2-(3-sulfophenyl)diazenyl)-1-naphthalenyl)diazenyl)phenyl)diazenyl)-4-hydroxy-, sodium salt (1:3)
RN: 68259-03-0
InChIKey: MNCJKWIRDLRJBX-RVDYCWQGSA-K

Molecular Formula

  • C41-H32-N8-O13-S3.3Na

Molecular Weight

  • 1006.8911
 
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Names and Synonyms

  • 2-Naphthalenesulfonic acid, 7-((3-aminobenzoyl)amino)-3-((2,5-dimethoxy-4-((7-sulfo-4-((3-sulfophenyl)azo)-1-naphthalenyl)azo)phenyl)azo)-4-hydroxy-, trisodium salt
  • 2-Naphthalenesulfonic acid, 7-((3-aminobenzoyl)amino)-3-(2-(2,5-dimethoxy-4-(2-(7-sulfo-4-(2-(3-sulfophenyl)diazenyl)-1-naphthalenyl)diazenyl)phenyl)diazenyl)-4-hydroxy-, sodium salt (1:3)

Registry Numbers

CAS Registry Number

  • 68259-03-0

System Generated Number

  • 0068259030

Molecular Formulas

Molecular Formula

  • C41-H32-N8-O13-S3.3Na

Molecular Formula Fragments

  • C41-H32-N8-O13-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C41H32N8O13S3.3Na/c1-61-36-21-35(48-49-39-38(65(58,59)60)17-23-16-25(9-11-29(23)40(39)50)43-41(51)22-5-3-6-24(42)15-22)37(62-2)20-34(36)47-46-33-14-13-32(30-12-10-28(19-31(30)33)64(55,56)57)45-44-26-7-4-8-27(18-26)63(52,53)54;;;/h3-21,50H,42H2,1-2H3,(H,43,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;/q;3*+1/p-3/b45-44+,47-46+,49-48+;;;

InChIKey

MNCJKWIRDLRJBX-RVDYCWQGSA-K

Smiles

COc1cc(c(cc1/N=N/c2ccc(c3c2cc(cc3)S(=O)(=O)[O-])/N=N/c4cccc(c4)S(=O)(=O)[O-])OC)/N=N/c5c(cc6cc(ccc6c5O)NC(=O)c7cccc(c7)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+]