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Substance Name: 4,4'-(Carbonylbis(imino(1-hydroxynaphthalene-6,2-diyl-3-sulpho)azo))bisbenzoic acid, sodium salt, compound with 2,2',2''-(nitrilotriethyleneoxy)triethanol
RN: 85283-96-1
InChIKey: VHIXPNZTUYGNSZ-ICUBATCWSA-N

Molecular Formula

  • C35-H24-N6-O13-S2.x-C12-H27-N-O6.x-Na

Molecular Weight

  • 1105.0719
 
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Names and Synonyms

Synonym

  • EINECS 286-624-6

Systematic Name

  • 4,4'-(Carbonylbis(imino(1-hydroxynaphthalene-6,2-diyl-3-sulpho)azo))bisbenzoic acid, sodium salt, compound with 2,2',2''-(nitrilotriethyleneoxy)triethanol

Registry Numbers

CAS Registry Number

  • 85283-96-1

System Generated Number

  • 0085283961

Molecular Formulas

Molecular Formula

  • C35-H24-N6-O13-S2.x-C12-H27-N-O6.x-Na

Molecular Formula Fragments

  • C12-H27-N-O6
  • C35-H24-N6-O13-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C35H24N6O13S2.C12H27NO6.Na/c42-31-25-11-9-23(40-38-21-5-1-17(2-6-21)33(44)45)13-19(25)15-27(55(49,50)51)29(31)36-35(48)37-30-28(56(52,53)54)16-20-14-24(10-12-26(20)32(30)43)41-39-22-7-3-18(4-8-22)34(46)47;14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16;/h1-16,42-43H,(H,44,45)(H,46,47)(H2,36,37,48)(H,49,50,51)(H,52,53,54);14-16H,1-12H2;/q;;+1/b40-38+,41-39+;;

InChIKey

VHIXPNZTUYGNSZ-ICUBATCWSA-N

Smiles

[Na+].OCCOCCN(CCOCCO)CCOCCO.OC(=O)c1ccc(cc1)N=Nc2ccc3c(O)c(NC(=O)Nc4c(O)c5ccc(cc5cc4S(=O)(=O)O)N=Nc6ccc(cc6)C(=O)O)c(cc3c2)S(=O)(=O)O