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Substance Name: Benzenesulfonic acid, 4-(4,5-dihydro-4-(2-(4-methoxy-3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2)
RN: 72121-81-4
InChIKey: DLVXYSKVSXWEFE-SERMZQFOSA-L

Molecular Formula

  • C19-H20-N4-O11-S3.2Na

Molecular Weight

  • 620.546
 
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Names and Synonyms

Synonyms

  • 4-(4,5-Dihydro-4-((4-methoxy-3-((2-sulfooxyethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid disodium salt
  • EINECS 276-353-1

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 72121-81-4

System Generated Number

  • 0072121814

Molecular Formulas

Molecular Formula

  • C19-H20-N4-O11-S3.2Na

Molecular Formula Fragments

  • C19-H20-N4-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C19H20N4O11S3.2Na/c1-12-18(19(24)23(22-12)14-4-6-15(7-5-14)36(27,28)29)21-20-13-3-8-16(33-2)17(11-13)35(25,26)10-9-34-37(30,31)32;;/h3-8,11,18H,9-10H2,1-2H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2/b21-20+;;

InChIKey

DLVXYSKVSXWEFE-SERMZQFOSA-L

Smiles

[Na+].[Na+].c1(ccc(cc1)N1N=C([C@@H](C1=O)\N=N\c1cc(c(cc1)OC)S(=O)(=O)CCOS(=O)(=O)[O-])C)S(=O)(=O)[O-]