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Substance Name: Benzenesulfonic acid, 4-(2-(1-(((4-methoxyphenyl)amino)carbonyl)-2-oxopropyl)diazenyl)-3-nitro-, calcium salt (2:1)
RN: 73385-03-2
InChIKey: LJZNJAZFGMKGKA-FFRZOONGSA-L

Molecular Formula

  • C17-H16-N4-O8-S.1/2Ca

Molecular Weight

  • 910.861
 
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Names and Synonyms

Synonyms

  • Butanamide, 2-((2-nitro-4-sulfophenyl)azo)-N-(4-methoxyphenyl)-3-oxo-, calcium salt (2:1)
  • EINECS 277-421-3

Systematic Names

  • Benzenesulfonic acid, 4-((1-(((4-methoxyphenyl)amino)carbonyl)-2-oxopropyl)azo)-3-nitro-, calcium salt (2:1)
  • Benzenesulfonic acid, 4-(2-(1-(((4-methoxyphenyl)amino)carbonyl)-2-oxopropyl)diazenyl)-3-nitro-, calcium salt (2:1)
  • Calcium bis(4-((1-(((4-methoxyphenyl)amino)carbonyl)-2-oxopropyl)azo)-3-nitrobenzenesulphonate)

Registry Numbers

CAS Registry Number

  • 73385-03-2

System Generated Number

  • 0073385032

Molecular Formulas

Molecular Formula

  • C17-H16-N4-O8-S.1/2Ca

Molecular Formula Fragments

  • C17-H16-N4-O8-S
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C17H16N4O8S.Ca/c2*1-10(22)16(17(23)18-11-3-5-12(29-2)6-4-11)20-19-14-8-7-13(30(26,27)28)9-15(14)21(24)25;/h2*3-9,16H,1-2H3,(H,18,23)(H,26,27,28);/q;;+2/p-2/b2*20-19+;

InChIKey

LJZNJAZFGMKGKA-FFRZOONGSA-L

Smiles

[Ca+2].c1(cc(c(\N=N\[C@@H](C(Nc2ccc(OC)cc2)=O)C(C)=O)cc1)[N+](=O)[O-])S(=O)(=O)[O-].c1(cc(c(cc1)\N=N\[C@@H](C(C)=O)C(=O)Nc1ccc(cc1)OC)[N+](=O)[O-])S(=O)(=O)[O-]