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Substance Name: Benzenesulfonic acid, 4-((3-(2-(2-hydroxy-3-(((4-methoxyphenyl)amino)carbonyl)-1-naphthalenyl)diazenyl)benzoyl)amino)-, calcium salt (2:1)
RN: 69898-39-1
InChIKey: NGYVQEHNWBJLPD-CAFUQINXSA-L

Molecular Formula

  • C31-H24-N4-O7-S.1/2Ca

Molecular Weight

  • 1231.3
 
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Names and Synonyms

Synonym

  • EINECS 274-193-7

Systematic Names

  • Benzenesulfonic acid, 4-((3-((2-hydroxy-3-(((4-methoxyphenyl)amino)carbonyl)-1-naphthalenyl)azo)benzoyl)amino)-, calcium salt (2:1)
  • Benzenesulfonic acid, 4-((3-(2-(2-hydroxy-3-(((4-methoxyphenyl)amino)carbonyl)-1-naphthalenyl)diazenyl)benzoyl)amino)-, calcium salt (2:1)
  • Calcium bis(4-((3-((2-hydroxy-3-(((4-methoxyphenyl)amino)carbonyl)-1-naphthyl)azo)benzoyl)amino)benzenesulphonate)

Registry Numbers

CAS Registry Number

  • 69898-39-1

System Generated Number

  • 0069898391

Molecular Formulas

Molecular Formula

  • C31-H24-N4-O7-S.1/2Ca

Molecular Formula Fragments

  • C31-H24-N4-O7-S
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C31H24N4O7S.Ca/c2*1-42-24-13-9-21(10-14-24)33-31(38)27-18-19-5-2-3-8-26(19)28(29(27)36)35-34-23-7-4-6-20(17-23)30(37)32-22-11-15-25(16-12-22)43(39,40)41;/h2*2-18,36H,1H3,(H,32,37)(H,33,38)(H,39,40,41);/q;;+2/p-2/b2*35-34+;

InChIKey

NGYVQEHNWBJLPD-CAFUQINXSA-L

Smiles

[Ca+2].c1(ccc(NC(c2cc(\N=N\c3c(O)c(C(Nc4ccc(cc4)OC)=O)cc4ccccc34)ccc2)=O)cc1)S(=O)(=O)[O-].c1(ccc(cc1)NC(c1cc(ccc1)\N=N\c1c(c(cc2ccccc12)C(=O)Nc1ccc(cc1)OC)O)=O)S(=O)(=O)[O-]