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Substance Name: 2-((5-Cyano-2,6-bis((3-hydroxypropyl)amino)-4-methyl-3-pyridyl)azo)-5-((2-(sulphooxy)ethyl)sulphonyl)benzenesulphonic acid, sodium salt
RN: 94158-83-5
InChIKey: GNADXOFVVANHCS-YOYNBWDYSA-L

Molecular Formula

  • C21-H28-N6-O11-S3.x-Na

Molecular Weight

  • 680.6454
 
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Names and Synonyms

Synonym

  • EINECS 303-157-6

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 94158-83-5

System Generated Number

  • 0094158835

Molecular Formulas

Molecular Formula

  • C21-H28-N6-O11-S3.x-Na

Molecular Formula Fragments

  • C21-H28-N6-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H28N6O11S3.2Na/c1-14-16(13-22)20(23-6-2-8-28)25-21(24-7-3-9-29)19(14)27-26-17-5-4-15(12-18(17)40(32,33)34)39(30,31)11-10-38-41(35,36)37;;/h4-5,12,28-29H,2-3,6-11H2,1H3,(H2,23,24,25)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2/b27-26+;;

InChIKey

GNADXOFVVANHCS-YOYNBWDYSA-L

Smiles

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