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Substance Name: Sodium 4,4'-(methylenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(3-methylbenzenesulphonate
RN: 85391-58-8
InChIKey: IUNYXTGGDLAACZ-PYIFGEPISA-L

Molecular Formula

  • C35-H32-N8-O8-S2.x-Na

Molecular Weight

  • 800.782
 
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Names and Synonyms

Synonym

  • EINECS 286-813-3

Systematic Name

  • Sodium 4,4'-(methylenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(3-methylbenzenesulphonate

Registry Numbers

CAS Registry Number

  • 85391-58-8

System Generated Number

  • 0085391588

Molecular Formulas

Molecular Formula

  • C35-H32-N8-O8-S2.x-Na

Molecular Formula Fragments

  • C35-H32-N8-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C35H32N8O8S2.2Na/c1-20-17-28(52(46,47)48)13-15-30(20)42-34(44)32(22(3)40-42)38-36-26-9-5-24(6-10-26)19-25-7-11-27(12-8-25)37-39-33-23(4)41-43(35(33)45)31-16-14-29(18-21(31)2)53(49,50)51;;/h5-18,32-33H,19H2,1-4H3,(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2/b38-36+,39-37+;;

InChIKey

IUNYXTGGDLAACZ-PYIFGEPISA-L

Smiles

Cc1c(ccc(c1)S(=O)(=O)[O-])N2N=C(C(C2=O)/N=N/c3ccc(cc3)Cc4ccc(cc4)/N=N/C5C(=O)N(N=C5C)c6c(cc(cc6)S(=O)(=O)[O-])C)C.[Na+].[Na+]