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Substance Name: Calcium 4,4'-bis((1-(((2,4-dimethylphenyl)amino)carbonyl)-2-oxopropyl)azo)(1,1'-biphenyl)-2,2'-disulphonate
RN: 85005-79-4
InChIKey: RVUNQQHMJLOQJI-QGANLEANSA-L

Molecular Formula

  • C36-H36-N6-O10-S2.x-Ca

Molecular Weight

  • 814.9066
 
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Names and Synonyms

Synonym

  • EINECS 285-011-0

Systematic Names

  • (1,1'-Biphenyl)-2,2'-disulfonic acid, 4,4'-bis((1-(((2,4-dimethylphenyl)amino)carbonyl)-2-oxopropyl)azo)-, calcium salt
  • Calcium 4,4'-bis((1-(((2,4-dimethylphenyl)amino)carbonyl)-2-oxopropyl)azo)(1,1'-biphenyl)-2,2'-disulphonate

Registry Numbers

CAS Registry Number

  • 85005-79-4

System Generated Number

  • 0085005794

Molecular Formulas

Molecular Formula

  • C36-H36-N6-O10-S2.x-Ca

Molecular Formula Fragments

  • C36-H36-N6-O10-S2
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/C36H36N6O10S2.Ca/c1-19-7-13-29(21(3)15-19)37-35(45)33(23(5)43)41-39-25-9-11-27(31(17-25)53(47,48)49)28-12-10-26(18-32(28)54(50,51)52)40-42-34(24(6)44)36(46)38-30-14-8-20(2)16-22(30)4;/h7-18,33-34H,1-6H3,(H,37,45)(H,38,46)(H,47,48,49)(H,50,51,52);/q;+2/p-2/b41-39+,42-40+;

InChIKey

RVUNQQHMJLOQJI-QGANLEANSA-L

Smiles

Cc1cc(c(cc1)NC(=O)C(/N=N/c2cc(c(cc2)c3c(cc(cc3)/N=N/C(C(=O)Nc4c(cc(cc4)C)C)C(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)C)C.[Ca+2]