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Substance Name: 3,3'-(Carbonylbis(imino(2-methyl-p-phenylene)azo))bis(naphthalene-1,5-disulphonic) acid, sodium salt, compound with 2,2',2''-(nitrilotris(ethyleneoxy))tris(ethanol)
RN: 85188-13-2
InChIKey: AAOJJFHMANLNNJ-ICUBATCWSA-N

Molecular Formula

  • C35-H28-N6-O13-S4.x-C12-H27-N-O6.x-Na

Molecular Weight

  • 1173.2355
 
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Names and Synonyms

Synonym

  • EINECS 286-203-7

Systematic Name

  • 3,3'-(Carbonylbis(imino(2-methyl-p-phenylene)azo))bis(naphthalene-1,5-disulphonic) acid, sodium salt, compound with 2,2',2''-(nitrilotris(ethyleneoxy))tris(ethanol)

Registry Numbers

CAS Registry Number

  • 85188-13-2

System Generated Number

  • 0085188132

Molecular Formulas

Molecular Formula

  • C35-H28-N6-O13-S4.x-C12-H27-N-O6.x-Na

Molecular Formula Fragments

  • C12-H27-N-O6
  • C35-H28-N6-O13-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C35H28N6O13S4.C12H27NO6.Na/c1-19-13-21(9-11-29(19)40-38-23-15-27-25(33(17-23)57(49,50)51)5-3-7-31(27)55(43,44)45)36-35(42)37-22-10-12-30(20(2)14-22)41-39-24-16-28-26(34(18-24)58(52,53)54)6-4-8-32(28)56(46,47)48;14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16;/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);14-16H,1-12H2;/q;;+1/b40-38+,41-39+;;

InChIKey

AAOJJFHMANLNNJ-ICUBATCWSA-N

Smiles

[Na+].Cc1cc(NC(=O)Nc2ccc(N=Nc3cc(c4cccc(c4c3)S(=O)(=O)O)S(=O)(=O)O)c(C)c2)ccc1N=Nc5cc(c6cccc(c6c5)S(=O)(=O)O)S(=O)(=O)O.OCCOCCN(CCOCCO)CCOCCO