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Substance Name: Tetrasodium 4,4'-bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)-5,5'-dimethyl(1,1'-biphenyl)-2,2'-disulphonate
RN: 89504-75-6
InChIKey: JMKRHNKBDCVEAW-OTGYWJPESA-J

Molecular Formula

  • C34-H30-N8-O14-S4.4Na

Molecular Weight

  • 992.8612
 
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Names and Synonyms

Synonym

  • EINECS 289-506-2

Systematic Name

  • Tetrasodium 4,4'-bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)-5,5'-dimethyl(1,1'-biphenyl)-2,2'-disulphonate

Registry Numbers

CAS Registry Number

  • 89504-75-6

System Generated Number

  • 0089504756

Molecular Formulas

Molecular Formula

  • C34-H30-N8-O14-S4.4Na

Molecular Formula Fragments

  • C34-H30-N8-O14-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H32N8O14S4.4Na/c1-17-13-25(29(59(51,52)53)15-27(17)35-37-31-19(3)41(39-33(31)43)21-5-9-23(10-6-21)57(45,46)47)26-14-18(2)28(16-30(26)60(54,55)56)36-38-32-20(4)42(40-34(32)44)22-7-11-24(12-8-22)58(48,49)50;;;;/h5-16,31-32H,1-4H3,(H,39,43)(H,40,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4/b37-35+,38-36+;;;;

InChIKey

JMKRHNKBDCVEAW-OTGYWJPESA-J

Smiles

[Na+].[Na+].[Na+].[Na+].CC1=[N](NC(=O)C1N=Nc2cc(c(cc2C)c3cc(C)c(cc3S(=O)(=O)[O-])N=NC4C(=O)N[N](=C4C)c5ccc(cc5)S(=O)(=O)[O-])S(=O)(=O)[O-])c6ccc(cc6)S(=O)(=O)[O-]