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Substance Name: Benzenesulfonic acid, 3-(2-(4-(2-(5-cyano-6-((2-hydroxyethyl)amino)-4-methyl-2-((2-(4-sulfophenyl)ethyl)amino)-3-pyridinyl)diazenyl)-2,5-dimethylphenyl)diazenyl)-, sodium salt (1:2)
RN: 74499-55-1
InChIKey: ZSSYEBOSOMQARW-FBBBJYKDSA-L

Molecular Formula

  • C31-H32-N8-O7-S2.2Na

Molecular Weight

  • 736.739
 
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Names and Synonyms

  • Benzenesulfonic acid, 3-((4-((5-cyano-6-((2-hydroxyethyl)amino)-4-methyl-2-((2-(4-sulfophenyl)ethyl)amino)-3-pyridinyl)azo)-2,5-dimethylphenyl)azo)-, disodium salt
  • Benzenesulfonic acid, 3-(2-(4-(2-(5-cyano-6-((2-hydroxyethyl)amino)-4-methyl-2-((2-(4-sulfophenyl)ethyl)amino)-3-pyridinyl)diazenyl)-2,5-dimethylphenyl)diazenyl)-, sodium salt (1:2)

Registry Numbers

CAS Registry Number

  • 74499-55-1

System Generated Number

  • 0074499551

Molecular Formulas

Molecular Formula

  • C31-H32-N8-O7-S2.2Na

Molecular Formula Fragments

  • C31-H32-N8-O7-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H32N8O7S2.2Na/c1-19-16-28(20(2)15-27(19)37-36-23-5-4-6-25(17-23)48(44,45)46)38-39-29-21(3)26(18-32)30(34-13-14-40)35-31(29)33-12-11-22-7-9-24(10-8-22)47(41,42)43;;/h4-10,15-17,40H,11-14H2,1-3H3,(H2,33,34,35)(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2/b37-36+,39-38+;;

InChIKey

ZSSYEBOSOMQARW-FBBBJYKDSA-L

Smiles

[Na+].[Na+].c1(cc(ccc1)\N=N\c1c(cc(c(c1)C)\N=N\c1c(nc(c(c1C)C#N)NCCO)NCCc1ccc(cc1)S(=O)(=O)[O-])C)S(=O)(=O)[O-]