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Substance Name: Benzoic acid, 2-(2-(2-amino-6-(2-(3,3'-dimethoxy-4'-(2-(6-sulfo-1-naphthalenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-5-hydroxy-7-sulfo-1-naphthalenyl)diazenyl)-5-nitro-, sodium salt (1:2)
RN: 71278-41-6
InChIKey: NGINEUZLMPVJTJ-QYXJFUMJSA-L

Molecular Formula

  • C41-H30-N8-O13-S2.2Na

Molecular Weight

  • 950.827
 
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Names and Synonyms

Synonym

  • EINECS 275-307-8

Systematic Names

  • Benzoic acid, 2-((2-amino-6-((3,3'-dimethoxy-4'-((6-sulfo-1-naphthalenyl)azo)(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-7-sulfo-1-naphthalenyl)azo)-5-nitro-, disodium salt
  • Benzoic acid, 2-(2-(2-amino-6-(2-(3,3'-dimethoxy-4'-(2-(6-sulfo-1-naphthalenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-5-hydroxy-7-sulfo-1-naphthalenyl)diazenyl)-5-nitro-, sodium salt (1:2)
  • Disodium hydrogen 2-((2-amino-6-((3,3'-dimethoxy-4'-((1-naphthyl-6-sulphonato)azo)(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-1-naphthyl-7-sulphonato)azo)-5-nitrobenzoate

Registry Numbers

CAS Registry Number

  • 71278-41-6

System Generated Number

  • 0071278416

Molecular Formulas

Molecular Formula

  • C41-H30-N8-O13-S2.2Na

Molecular Formula Fragments

  • C41-H30-N8-O13-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C41H30N8O13S2.2Na/c1-61-35-17-21(6-13-33(35)45-43-31-5-3-4-23-16-25(63(55,56)57)9-10-26(23)31)22-7-14-34(36(18-22)62-2)46-48-39-37(64(58,59)60)20-28-27(40(39)50)11-12-30(42)38(28)47-44-32-15-8-24(49(53)54)19-29(32)41(51)52;;/h3-20,50H,42H2,1-2H3,(H,51,52)(H,55,56,57)(H,58,59,60);;/q;2*+1/p-2/b45-43+,47-44+,48-46+;;

InChIKey

NGINEUZLMPVJTJ-QYXJFUMJSA-L

Smiles

[Na+].[Na+].C(c1c(ccc(c1)[N+](=O)[O-])\N=N\c1c(ccc2c(c(c(cc12)S(=O)(=O)[O-])\N=N\c1c(cc(cc1)c1cc(c(cc1)\N=N\c1cccc2cc(ccc12)S(=O)(=O)O)OC)OC)O)N)(=O)[O-]