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Substance Name: Benzenesulfonic acid, 4,4',4'',4'''-(2,4-pyridinediylbis(1,2,4-triazine-3,5,6-triyl))tetrakis-, sodium salt (1:4)
RN: 59895-79-3
InChIKey: ALGXFKWNZFUOCI-UHFFFAOYSA-J

Molecular Formula

  • C35-H23-N7-O12-S4.4Na

Molecular Weight

  • 949.7961
 
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Names and Synonyms

Synonyms

  • 2,4-Bis(5,6-di(4-phenylsulfonic acid)-1,2,4-triazin-3-yl)pyridine, tetrasodium salt
  • EINECS 261-975-8
  • Pyridine, 2,4-bis(5,6-di(phenylsulfonic acid)-1,2,4-triazin-3-yl)-, sodium salt

Systematic Names

  • Benzenesulfonic acid, 4,4',4'',4'''-(2,4-pyridinediylbis(1,2,4-triazine-3,5,6-triyl))tetrakis-, sodium salt (1:4)
  • Benzenesulfonic acid, 4,4',4'',4'''-(2,4-pyridinediylbis(1,2,4-triazine-3,5,6-triyl))tetrakis-, tetrasodium salt
  • Tetrasodium 4,4',4'',4'''-(pyridine-2,4-diyl(di-1,2,4-triazine-3,5,6-triyl))tetrakis(benzenesulphonate)

Registry Numbers

CAS Registry Number

  • 59895-79-3

System Generated Number

  • 0059895793

Molecular Formulas

Molecular Formula

  • C35-H23-N7-O12-S4.4Na

Molecular Formula Fragments

  • C35-H23-N7-O12-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C35H23N7O12S4.4Na/c43-55(44,45)25-9-1-20(2-10-25)30-32(22-5-13-27(14-6-22)57(49,50)51)39-41-34(37-30)24-17-18-36-29(19-24)35-38-31(21-3-11-26(12-4-21)56(46,47)48)33(40-42-35)23-7-15-28(16-8-23)58(52,53)54;;;;/h1-19H,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4

InChIKey

ALGXFKWNZFUOCI-UHFFFAOYSA-J

Smiles

c1cc(ccc1c2c(nnc(n2)c3ccnc(c3)c4nc(c(nn4)c5ccc(cc5)S(=O)(=O)[O-])c6ccc(cc6)S(=O)(=O)[O-])c7ccc(cc7)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]