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Substance Name: Benzoic acid, 3,3'-(iminobis((1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl(2,5-dimethoxy-4,1-phenylene)-2,1-diazenediyl))bis(6-hydroxy-, sodium salt (1:4)
RN: 6548-31-8
InChIKey: KQHOLMGPQLFOQN-VZHURDIQSA-J

Molecular Formula

  • C50-H39-N9-O18-S2.4Na

Molecular Weight

  • 1205.96
 
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Names and Synonyms

Synonym

  • EINECS 229-470-7

Systematic Names

  • Benzoic acid, 3,3'-(iminobis((1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl(2,5-dimethoxy-4,1-phenylene)-2,1-diazenediyl))bis(6-hydroxy-, sodium salt (1:4)
  • Benzoic acid, 3,3'-(iminobis((1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo(2,5-dimethoxy-4,1-phenylene)azo))bis(6-hydroxy-, tetrasodium salt
  • Tetrasodium 5,5'-(iminobis((1-hydroxy-3-sulphonato-6,2-naphthylene)azo(2,5-dimethoxy-4,1-phenylene)azo))bis(salicylate)

Registry Numbers

CAS Registry Number

  • 6548-31-8

Other Registry Number

  • 75268-72-3

System Generated Number

  • 0006548318

Molecular Formulas

Molecular Formula

  • C50-H39-N9-O18-S2.4Na

Molecular Formula Fragments

  • C50-H39-N9-O18-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C50H39N9O18S2.4Na/c1-74-39-21-35(41(76-3)19-33(39)54-52-27-7-11-37(60)31(17-27)49(64)65)56-58-45-43(78(68,69)70)15-23-13-25(5-9-29(23)47(45)62)51-26-6-10-30-24(14-26)16-44(79(71,72)73)46(48(30)63)59-57-36-22-40(75-2)34(20-42(36)77-4)55-53-28-8-12-38(61)32(18-28)50(66)67;;;;/h5-22,51,60-63H,1-4H3,(H,64,65)(H,66,67)(H,68,69,70)(H,71,72,73);;;;/q;4*+1/p-4/b54-52+,55-53+,58-56+,59-57+;;;;

InChIKey

KQHOLMGPQLFOQN-VZHURDIQSA-J

Smiles

[Na+].[Na+].[Na+].[Na+].N(c1cc2cc(c(c(c2cc1)O)\N=N\c1cc(c(cc1OC)\N=N\c1cc(C(=O)[O-])c(cc1)O)OC)S(=O)(=O)[O-])c1cc2cc(c(c(c2cc1)O)\N=N\c1cc(c(cc1OC)\N=N\c1cc(C(=O)[O-])c(cc1)O)OC)S(=O)(=O)[O-]