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Substance Name: 2-((5-Cyano-2,6-bis((3-methoxypropyl)amino)-4-methyl-3-pyridyl)azo)-5-((2-(sulphooxy)ethyl)sulphonyl)benzenesulphonic acid, sodium salt
RN: 94158-84-6
InChIKey: VAXTZAGOGCQGEA-NTDCDQSISA-L

Molecular Formula

  • C23-H32-N6-O11-S3.x-Na

Molecular Weight

  • 708.699
 
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Names and Synonyms

Synonym

  • EINECS 303-158-1

Systematic Name

  • 2-((5-Cyano-2,6-bis((3-methoxypropyl)amino)-4-methyl-3-pyridyl)azo)-5-((2-(sulphooxy)ethyl)sulphonyl)benzenesulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 94158-84-6

System Generated Number

  • 0094158846

Molecular Formulas

Molecular Formula

  • C23-H32-N6-O11-S3.x-Na

Molecular Formula Fragments

  • C23-H32-N6-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H32N6O11S3.2Na/c1-16-18(15-24)22(25-8-4-10-38-2)27-23(26-9-5-11-39-3)21(16)29-28-19-7-6-17(14-20(19)42(32,33)34)41(30,31)13-12-40-43(35,36)37;;/h6-7,14H,4-5,8-13H2,1-3H3,(H2,25,26,27)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2/b29-28+;;

InChIKey

VAXTZAGOGCQGEA-NTDCDQSISA-L

Smiles

S(=O)(=O)(c1cc(S(=O)(=O)CCOS(=O)(=O)[O-])ccc1/N=N/c1c(nc(c(c1C)C#N)NCCCOC)NCCCOC)[O-].[Na+].[Na+]