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Substance Name: Disodium p-(4,5-dihydro-5-imino-4-((2-methoxy-5-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)-3-methyl-1H-pyrazol-1-yl)benzenesulphonate
RN: 97403-76-4
InChIKey: TWSPAFSLXUXXNH-SYNSOJKLSA-L

Molecular Formula

  • C19-H21-N5-O10-S3.2Na

Molecular Weight

  • 619.5621
 
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Names and Synonyms

Synonym

  • EINECS 306-738-2

Systematic Names

  • Benzenesulfonic acid, 4-(4,5-dihydro-5-imino-4-((2-methoxy-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-1H-pyrazol-1-yl)-, disodium salt
  • Disodium p-(4,5-dihydro-5-imino-4-((2-methoxy-5-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)-3-methyl-1H-pyrazol-1-yl)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 97403-76-4

System Generated Number

  • 0097403764

Molecular Formulas

Molecular Formula

  • C19-H21-N5-O10-S3.2Na

Molecular Formula Fragments

  • C19-H21-N5-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C19H21N5O10S3.2Na/c1-12-18(19(20)24(23-12)13-3-5-14(6-4-13)36(27,28)29)22-21-16-11-15(7-8-17(16)33-2)35(25,26)10-9-34-37(30,31)32;;/h3-8,11,18,20H,9-10H2,1-2H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2/b20-19?,22-21+;;

InChIKey

TWSPAFSLXUXXNH-SYNSOJKLSA-L

Smiles

[Na+].[Na+].c1(ccc(cc1)N1N=C([C@@H](C1=N)\N=N\c1c(ccc(c1)S(=O)(=O)CCOS(=O)(=O)[O-])OC)C)S(=O)(=O)[O-]