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Substance Name: 1,1'-(Isopropylidenedi-p-phenylene) bis(2-((5-amino-3-methyl-1-(3-sulphophenyl)-1H-pyrazol-4-yl)azo)benzenesulphonate), sodium salt
RN: 83006-51-3
InChIKey: GGFWFYDYHFJTNY-ORYMUSFCSA-N

Molecular Formula

  • C47-H42-N10-O12-S4.x-Na

Molecular Weight

  • 1090.1608
 
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Names and Synonyms

Synonym

  • EINECS 280-101-6

Systematic Names

  • 1,1'-(Isopropylidenedi-p-phenylene) bis(2-((5-amino-3-methyl-1-(3-sulphophenyl)-1H-pyrazol-4-yl)azo)benzenesulphonate), sodium salt
  • Benzenesulfonic acid, 2-((5-amino-3-methyl-1-(3-sulfophenyl)-1H-pyrazol-4-yl)azo)-, 1,1'-((1-methylethylidene)di-4,1-phenylene) ester, sodium salt

Registry Numbers

CAS Registry Number

  • 83006-51-3

System Generated Number

  • 0083006513

Molecular Formulas

Molecular Formula

  • C47-H42-N10-O12-S4.x-Na

Molecular Formula Fragments

  • C47-H42-N10-O12-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C47H42N10O12S4.Na/c1-29-43(45(48)56(54-29)33-11-9-13-37(27-33)70(58,59)60)52-50-39-15-5-7-17-41(39)72(64,65)68-35-23-19-31(20-24-35)47(3,4)32-21-25-36(26-22-32)69-73(66,67)42-18-8-6-16-40(42)51-53-44-30(2)55-57(46(44)49)34-12-10-14-38(28-34)71(61,62)63;/h5-28H,48-49H2,1-4H3,(H,58,59,60)(H,61,62,63);/q;+1/b52-50+,53-51+;

InChIKey

GGFWFYDYHFJTNY-ORYMUSFCSA-N

Smiles

Cc1nn(c(c1/N=N/c2c(cccc2)S(=O)(=O)Oc3ccc(cc3)C(c4ccc(cc4)OS(=O)(=O)c5c(cccc5)/N=N/c6c(n(nc6C)c7cc(ccc7)S(=O)(=O)O)N)(C)C)N)c8cc(ccc8)S(=O)(=O)O.[Na+]