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Substance Name: 2,2'-(Methylenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(toluene-5-sulphonic) acid, sodium salt, compound with N,N'-ditolylguanidine
RN: 84912-21-0
InChIKey: ZKQSUWZOQYWOJA-PYIFGEPISA-N

Molecular Formula

  • C35-H32-N8-O8-S2.x-C15-H17-N3.x-Na

Molecular Weight

  • 1019.1281
 
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Names and Synonyms

Synonym

  • EINECS 284-484-0

Systematic Name

  • 2,2'-(Methylenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(toluene-5-sulphonic) acid, sodium salt, compound with N,N'-ditolylguanidine

Registry Numbers

CAS Registry Number

  • 84912-21-0

System Generated Number

  • 0084912210

Molecular Formulas

Molecular Formula

  • C35-H32-N8-O8-S2.x-C15-H17-N3.x-Na

Molecular Formula Fragments

  • C15-H17-N3
  • C35-H32-N8-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C35H32N8O8S2.C15H17N3.Na/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;1-11-3-7-13(8-4-11)17-15(16)18-14-9-5-12(2)6-10-14;/h5-18,32-33H,19H2,1-4H3,(H,46,47,48)(H,49,50,51);3-10H,1-2H3,(H3,16,17,18);/q;;+1/b38-36+,39-37+;;

InChIKey

ZKQSUWZOQYWOJA-PYIFGEPISA-N

Smiles

[Na+].CC1=NN(C(=O)C1N=Nc2ccc(Cc3ccc(cc3)N=NC4C(=NN(C4=O)c5ccc(cc5C)S(=O)(=O)O)C)cc2)c6ccc(cc6C)S(=O)(=O)O.Cc7ccc(NC(=N)Nc8ccc(C)cc8)cc7