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Substance Name: Sodium 2-((2-amino-6-((4-((4-((3-carboxy-4-hydroxyphenyl)azo)-7-sulpho-1-naphthyl)azo)-2,5-dimethoxyphenyl)azo)-5-hydroxy-7-sulpho-1-naphthyl)azo)-5-nitrobenzoate
RN: 84963-16-6
InChIKey: IZOQBFQNGWEGKO-UQDQKKGJSA-J

Molecular Formula

  • C42-H30-N10-O16-S2.x-Na

Molecular Weight

  • 1082.8134
 
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Names and Synonyms

Synonym

  • EINECS 284-816-4

Systematic Name

  • Sodium 2-((2-amino-6-((4-((4-((3-carboxy-4-hydroxyphenyl)azo)-7-sulpho-1-naphthyl)azo)-2,5-dimethoxyphenyl)azo)-5-hydroxy-7-sulpho-1-naphthyl)azo)-5-nitrobenzoate

Registry Numbers

CAS Registry Number

  • 84963-16-6

System Generated Number

  • 0084963166

Molecular Formulas

Molecular Formula

  • C42-H30-N10-O16-S2.x-Na

Molecular Formula Fragments

  • C42-H30-N10-O16-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C42H30N10O16S2.4Na/c1-67-35-18-33(49-51-39-37(70(64,65)66)16-25-23(40(39)54)7-8-28(43)38(25)50-47-31-9-4-20(52(59)60)14-26(31)41(55)56)36(68-2)17-32(35)48-46-30-11-10-29(22-6-5-21(15-24(22)30)69(61,62)63)45-44-19-3-12-34(53)27(13-19)42(57)58;;;;/h3-18,53-54H,43H2,1-2H3,(H,55,56)(H,57,58)(H,61,62,63)(H,64,65,66);;;;/q;4*+1/p-4/b45-44+,48-46+,50-47+,51-49+;;;;

InChIKey

IZOQBFQNGWEGKO-UQDQKKGJSA-J

Smiles

COc1cc(c(cc1/N=N/c2ccc(c3c2cc(cc3)S(=O)(=O)[O-])/N=N/c4ccc(c(c4)C(=O)[O-])O)OC)/N=N/c5c(cc6c(c5O)ccc(c6/N=N/c7ccc(cc7C(=O)[O-])[N+](=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]