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Substance Name: 2-((4-Chloro-6-((8-hydroxy-3,6-disulpho-7-((1-sulpho-2-naphthyl)azo)-1-naphthyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulphobenzoic acid, sodium salt
RN: 85098-62-0
InChIKey: NWQCKGOTFJELGD-UGPCQCMPSA-I

Molecular Formula

  • C30-H20-Cl-N7-O15-S4.x-Na

Molecular Weight

  • 992.1495
 
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Names and Synonyms

Synonym

  • EINECS 285-413-6

Systematic Name

  • 2-((4-Chloro-6-((8-hydroxy-3,6-disulpho-7-((1-sulpho-2-naphthyl)azo)-1-naphthyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulphobenzoic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 85098-62-0

System Generated Number

  • 0085098620

Molecular Formulas

Molecular Formula

  • C30-H20-Cl-N7-O15-S4.x-Na

Molecular Formula Fragments

  • C30-H20-Cl-N7-O15-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H20ClN7O15S4.5Na/c31-28-34-29(32-19-8-6-15(54(42,43)44)11-18(19)27(40)41)36-30(35-28)33-21-12-16(55(45,46)47)9-14-10-22(56(48,49)50)24(25(39)23(14)21)38-37-20-7-5-13-3-1-2-4-17(13)26(20)57(51,52)53;;;;;/h1-12,39H,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,32,33,34,35,36);;;;;/q;5*+1/p-5/b38-37+;;;;;

InChIKey

NWQCKGOTFJELGD-UGPCQCMPSA-I

Smiles

c1ccc2c(c1)ccc(c2S(=O)(=O)[O-])/N=N/c3c(cc4cc(cc(c4c3O)Nc5nc(nc(n5)Cl)Nc6ccc(cc6C(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]