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Substance Name: Tetrasodium 4-amino-3,6-bis((5-((4-chloro-6-((o-tolyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-5-hydroxynaphthalene-2,7-disulphonate
RN: 81959-23-1
InChIKey: VTCSFRCKKKNJTO-RVHLLPGGSA-J

Molecular Formula

  • C42-H33-Cl2-N15-O13-S4.4Na

Molecular Weight

  • 1242.9131
 
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Names and Synonyms

Synonym

  • EINECS 279-858-5

Systematic Name

  • Tetrasodium 4-amino-3,6-bis((5-((4-chloro-6-((o-tolyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-5-hydroxynaphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 81959-23-1

System Generated Number

  • 0081959231

Molecular Formulas

Molecular Formula

  • C42-H33-Cl2-N15-O13-S4.4Na

Molecular Formula Fragments

  • C42-H33-Cl2-N15-O13-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C42H33Cl2N15O13S4.4Na/c1-19-7-3-5-9-24(19)48-41-52-37(43)50-39(54-41)46-22-11-13-28(73(61,62)63)26(17-22)56-58-34-30(75(67,68)69)15-21-16-31(76(70,71)72)35(36(60)32(21)33(34)45)59-57-27-18-23(12-14-29(27)74(64,65)66)47-40-51-38(44)53-42(55-40)49-25-10-6-4-8-20(25)2;;;;/h3-18,60H,45H2,1-2H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,46,48,50,52,54)(H2,47,49,51,53,55);;;;/q;4*+1/p-4/b58-56+,59-57+;;;;

InChIKey

VTCSFRCKKKNJTO-RVHLLPGGSA-J

Smiles

Cc1ccccc1Nc2nc(nc(n2)Cl)Nc3ccc(c(c3)/N=N/c4c(cc5cc(c(c(c5c4N)O)/N=N/c6cc(ccc6S(=O)(=O)[O-])Nc7nc(nc(n7)Cl)Nc8ccccc8C)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]