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Substance Name: Tetrasodium 2,2'-((6-anilino-1,3,5-triazine-2,4-diyl)bis(imino(2-methyl-4,1-phenylene)azo))bis(5-((4-sulphonatophenyl)azo)benzenesulphonate)
RN: 73398-50-2
InChIKey: GWHDJAXRFUYDED-XPMGJNGYSA-J

Molecular Formula

  • C47-H38-N14-O12-S4.4Na

Molecular Weight

  • 1207.0956
 
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Names and Synonyms

Synonym

  • EINECS 277-448-0

Systematic Name

  • Tetrasodium 2,2'-((6-anilino-1,3,5-triazine-2,4-diyl)bis(imino(2-methyl-4,1-phenylene)azo))bis(5-((4-sulphonatophenyl)azo)benzenesulphonate)

Registry Numbers

CAS Registry Number

  • 73398-50-2

System Generated Number

  • 0073398502

Molecular Formulas

Molecular Formula

  • C47-H38-N14-O12-S4.4Na

Molecular Formula Fragments

  • C47-H38-N14-O12-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C47H38N14O12S4.4Na/c1-28-24-33(12-20-39(28)58-60-41-22-14-35(26-43(41)76(68,69)70)56-54-31-8-16-37(17-9-31)74(62,63)64)49-46-51-45(48-30-6-4-3-5-7-30)52-47(53-46)50-34-13-21-40(29(2)25-34)59-61-42-23-15-36(27-44(42)77(71,72)73)57-55-32-10-18-38(19-11-32)75(65,66)67;;;;/h3-27H,1-2H3,(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H3,48,49,50,51,52,53);;;;/q;4*+1/p-4/b56-54+,57-55+,60-58+,61-59+;;;;

InChIKey

GWHDJAXRFUYDED-XPMGJNGYSA-J

Smiles

Cc1c(ccc(c1)Nc2nc(nc(n2)Nc3ccccc3)Nc4cc(c(cc4)/N=N/c5c(cc(cc5)/N=N/c6ccc(cc6)S(=O)(=O)[O-])S(=O)(=O)[O-])C)/N=N/c7c(cc(cc7)/N=N/c8ccc(cc8)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]