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Substance Name: Pentasodium bis(5-((4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino)-2-((1-hydroxy-3-sulpho-7-(3-sulphoanilino)-2-naphthyl)azo)benzoato(4-))chromate(5-)
RN: 83984-90-1
InChIKey: QELDCCXSXGILPJ-NNESMMCISA-F

Molecular Formula

  • C54-H32-Cl2-Cr-N14-O20-S4.5Na

Molecular Weight

  • 1563.0408
 
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Names and Synonyms

Synonym

  • EINECS 281-612-7

Systematic Name

  • Pentasodium bis(5-((4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino)-2-((1-hydroxy-3-sulpho-7-(3-sulphoanilino)-2-naphthyl)azo)benzoato(4-))chromate(5-)

Registry Numbers

CAS Registry Number

  • 83984-90-1

System Generated Number

  • 0083984901

Molecular Formulas

Molecular Formula

  • C54-H32-Cl2-Cr-N14-O20-S4.5Na

Molecular Formula Fragments

  • C54-H32-Cl2-Cr-N14-O20-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/2C27H20ClN7O10S2.Cr.5Na/c2*1-45-27-32-25(28)31-26(33-27)30-16-7-8-20(19(12-16)24(37)38)34-35-22-21(47(42,43)44)9-13-5-6-15(11-18(13)23(22)36)29-14-3-2-4-17(10-14)46(39,40)41;;;;;;/h2*2-12,29,36H,1H3,(H,37,38)(H,39,40,41)(H,42,43,44)(H,30,31,32,33);;;;;;/q;;+3;5*+1/p-8/b2*35-34+;;;;;;

InChIKey

QELDCCXSXGILPJ-NNESMMCISA-F

Smiles

COc1nc(nc(n1)Nc2cc3c(cc2)/N=N/c4c5c6c7cc4S(=O)(=O)O[Cr-5]891(O5)(OS(=O)(=O)c2c(c(c4c(c2)ccc(c4)Nc2cc(ccc2)S(=O)(=O)O8)O9)/N=N/c2c(cc(cc2)Nc2nc(nc(n2)OC)Cl)C(=O)O1)(OS(=O)(=O)c1cc(ccc1)Nc(c6)cc7)OC3=O)Cl.[Na+].[Na+].[Na+].[Na+].[Na+]