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Substance Name: Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, sodium salt (1:2)
RN: 72828-65-0
InChIKey: HEOPACURWUVTNI-KNZLDKEQSA-L

Molecular Formula

  • C38-H34-Cl2-N8-O8-S2.2Na

Molecular Weight

  • 909.737
 
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Names and Synonyms

Synonym

  • EINECS 276-880-7

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 72828-65-0

System Generated Number

  • 0072828650

Molecular Formulas

Molecular Formula

  • C38-H34-Cl2-N8-O8-S2.2Na

Molecular Formula Fragments

  • C38-H34-Cl2-N8-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H34Cl2N8O8S2.2Na/c1-22-34(36(49)47(45-22)32-20-28(57(51,52)53)14-16-30(32)39)43-41-26-10-6-24(7-11-26)38(18-4-3-5-19-38)25-8-12-27(13-9-25)42-44-35-23(2)46-48(37(35)50)33-21-29(58(54,55)56)15-17-31(33)40;;/h6-17,20-21,34-35H,3-5,18-19H2,1-2H3,(H,51,52,53)(H,54,55,56);;/q;2*+1/p-2/b43-41+,44-42+;;

InChIKey

HEOPACURWUVTNI-KNZLDKEQSA-L

Smiles

[Na+].[Na+].C1(CCCCC1)(c1ccc(cc1)\N=N\[C@@H]1C(=NN(C1=O)c1cc(ccc1Cl)S(=O)(=O)[O-])C)c1ccc(cc1)\N=N\[C@@H]1C(=NN(C1=O)c1cc(ccc1Cl)S(=O)(=O)[O-])C