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Substance Name: Benzenesulfonic acid, 4,4'-((phenylmethylene)bis(4,1-phenylene-2,1-diazenediyl(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(3-chloro-5-methyl-, sodium salt (1:2)
RN: 6548-24-9
InChIKey: COZSRKYXXRGOIH-MKXWKNNCSA-L

Molecular Formula

  • C41-H34-Cl2-N8-O8-S2.2Na

Molecular Weight

  • 945.77
 
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Names and Synonyms

Synonym

  • EINECS 229-467-0

Systematic Names

  • Benzenesulfonic acid, 4,4'-((phenylmethylene)bis(4,1-phenylene-2,1-diazenediyl(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(3-chloro-5-methyl-, sodium salt (1:2)
  • Benzenesulfonic acid, 4,4'-((phenylmethylene)bis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(3-chloro-5-methyl-, disodium salt
  • Disodium 4,4'-((phenylmethylene)bis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(3-chloro-5-methylbenzenesulphonate)

Registry Numbers

CAS Registry Number

  • 6548-24-9

System Generated Number

  • 0006548249

Molecular Formulas

Molecular Formula

  • C41-H34-Cl2-N8-O8-S2.2Na

Molecular Formula Fragments

  • C41-H34-Cl2-N8-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C41H34Cl2N8O8S2.2Na/c1-22-18-31(60(54,55)56)20-33(42)38(22)50-40(52)36(24(3)48-50)46-44-29-14-10-27(11-15-29)35(26-8-6-5-7-9-26)28-12-16-30(17-13-28)45-47-37-25(4)49-51(41(37)53)39-23(2)19-32(21-34(39)43)61(57,58)59;;/h5-21,35-37H,1-4H3,(H,54,55,56)(H,57,58,59);;/q;2*+1/p-2/b46-44+,47-45+;;

InChIKey

COZSRKYXXRGOIH-MKXWKNNCSA-L

Smiles

C(c1ccccc1)(c1ccc(cc1)\N=N\[C@@H]1C(=NN(C1=O)c1c(cc(cc1C)S(=O)(=O)[O-])Cl)C)c1ccc(cc1)\N=N\[C@@H]1C(=NN(C1=O)c1c(cc(cc1C)S(=O)(=O)[O-])Cl)C.[Na+].[Na+]