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Substance Name: Benzenesulfonic acid, 4,4'-((6-(phenylamino)-1,3,5-triazine-2,4-diyl)diimino)bis(2-(2-(1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-, sodium salt (1:2)
RN: 80301-66-2
InChIKey: AYYSFOCBJPSNQM-TVGJKAOASA-L

Molecular Formula

  • C43-H36-Cl2-N14-O8-S2.2Na

Molecular Weight

  • 1055.8496
 
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Names and Synonyms

  • Benzenesulfonic acid, 4,4'-((6-(phenylamino)-1,3,5-triazine-2,4-diyl)diimino)bis(2-((1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-, disodium salt
  • Benzenesulfonic acid, 4,4'-((6-(phenylamino)-1,3,5-triazine-2,4-diyl)diimino)bis(2-(2-(1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-, sodium salt (1:2)

Registry Numbers

CAS Registry Number

  • 80301-66-2

System Generated Number

  • 0080301662

Molecular Formulas

Molecular Formula

  • C43-H36-Cl2-N14-O8-S2.2Na

Molecular Formula Fragments

  • C43-H36-Cl2-N14-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C43H36Cl2N14O8S2.2Na/c1-22-10-8-14-29(44)37(22)58-39(60)35(24(3)56-58)54-52-31-20-27(16-18-33(31)68(62,63)64)47-42-49-41(46-26-12-6-5-7-13-26)50-43(51-42)48-28-17-19-34(69(65,66)67)32(21-28)53-55-36-25(4)57-59(40(36)61)38-23(2)11-9-15-30(38)45;;/h5-21,35-36H,1-4H3,(H,62,63,64)(H,65,66,67)(H3,46,47,48,49,50,51);;/q;2*+1/p-2/b54-52+,55-53+;;

InChIKey

AYYSFOCBJPSNQM-TVGJKAOASA-L

Smiles

Cc1c(c(ccc1)Cl)N2N=C(C(C2=O)/N=N/c3c(ccc(c3)Nc4nc(nc(n4)Nc5ccccc5)Nc6cc(c(cc6)S(=O)(=O)[O-])/N=N/C7C(=O)N(N=C7C)c8c(cccc8C)Cl)S(=O)(=O)[O-])C.[Na+].[Na+]