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Substance Name: Tetrasodium 3,3'-((1,6-dihydro-6-oxo-1,3,5-triazine-2,4-diyl)bis(imino(5-methoxy-2-methyl-4,1-phenylene)azo))bis(naphthalene-1,5-disulphonate)
RN: 82944-42-1
InChIKey: JYJMXXAOKYZSSD-JMYUTWMGSA-J

Molecular Formula

  • C39-H33-N9-O15-S4.4Na

Molecular Weight

  • 1083.9301
 
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Names and Synonyms

Synonym

  • EINECS 280-074-0

Systematic Name

  • Tetrasodium 3,3'-((1,6-dihydro-6-oxo-1,3,5-triazine-2,4-diyl)bis(imino(5-methoxy-2-methyl-4,1-phenylene)azo))bis(naphthalene-1,5-disulphonate)

Registry Numbers

CAS Registry Number

  • 82944-42-1

System Generated Number

  • 0082944421

Molecular Formulas

Molecular Formula

  • C39-H33-N9-O15-S4.4Na

Molecular Formula Fragments

  • C39-H33-N9-O15-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H33N9O15S4.4Na/c1-19-11-29(31(62-3)17-27(19)47-45-21-13-25-23(35(15-21)66(56,57)58)7-5-9-33(25)64(50,51)52)40-37-42-38(44-39(49)43-37)41-30-12-20(2)28(18-32(30)63-4)48-46-22-14-26-24(36(16-22)67(59,60)61)8-6-10-34(26)65(53,54)55;;;;/h5-18H,1-4H3,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H3,40,41,42,43,44,49);;;;/q;4*+1/p-4/b47-45+,48-46+;;;;

InChIKey

JYJMXXAOKYZSSD-JMYUTWMGSA-J

Smiles

Cc1cc(c(cc1/N=N/c2cc3c(cccc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])OC)Nc4[nH]c(=O)nc(n4)Nc5cc(c(cc5OC)/N=N/c6cc7c(cccc7S(=O)(=O)[O-])c(c6)S(=O)(=O)[O-])C.[Na+].[Na+].[Na+].[Na+]