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Substance Name: Pyridinium, 1,1'-(1,4-phenylenebis(imino(6-((8-hydroxy-3,6-disulfo-7-(2-(2-sulfophenyl)diazenyl)-1-naphthalenyl)amino)-1,3,5-triazine-4,2-diyl)))bis(3-carboxy-, hydroxide, sodium salt (1:2:6)
RN: 86422-60-8
InChIKey: RUJNBZYFAHGSAB-UHFFFAOYSA-H

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C56-H40-N16-O24-S6.2H-O.6Na

Molecular Weight

  • 1679.3224
 
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Names and Synonyms

  • Pyridinium, 1,1'-(1,4-phenylenebis(imino(6-((8-hydroxy-3,6-disulfo-7-((2-sulfophenyl)azo)-1-naphthalenyl)amino)-1,3,5-triazine-4,2-diyl)))bis(3-carboxy-, dihydroxide, hexasodium salt
  • Pyridinium, 1,1'-(1,4-phenylenebis(imino(6-((8-hydroxy-3,6-disulfo-7-(2-(2-sulfophenyl)diazenyl)-1-naphthalenyl)amino)-1,3,5-triazine-4,2-diyl)))bis(3-carboxy-, hydroxide, sodium salt (1:2:6)

Registry Numbers

CAS Registry Number

  • 86422-60-8

System Generated Number

  • 0086422608

Molecular Formulas

Molecular Formula

  • C56-H40-N16-O24-S6.2H-O.6Na

Molecular Formula Fragments

  • C56-H40-N16-O24-S6
  • COMPONENT
  • H-O
  • Na

Structure Descriptors

InChI

1S/C56H38N16O24S6.6Na.2H2O/c73-47-43-29(21-41(101(91,92)93)45(47)69-67-35-9-1-3-11-39(35)99(85,86)87)19-33(97(79,80)81)23-37(43)59-53-61-51(63-55(65-53)71-17-5-7-27(25-71)49(75)76)57-31-13-15-32(16-14-31)58-52-62-54(66-56(64-52)72-18-6-8-28(26-72)50(77)78)60-38-24-34(98(82,83)84)20-30-22-42(102(94,95)96)46(48(74)44(30)38)70-68-36-10-2-4-12-40(36)100(88,89)90;;;;;;;;/h1-26H,(H12-2,57,58,59,60,61,62,63,64,65,66,67,68,69,70,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96);;;;;;;2*1H2/q;6*+1;;/p-6

InChIKey

RUJNBZYFAHGSAB-UHFFFAOYSA-H

Smiles

c1(S(=O)(=O)[O-])c(c(c2c(Nc3nc(nc(n3)Nc3ccc(Nc4nc(nc(n4)Nc4c5c(c(c(S(=O)(=O)[O-])cc5cc(S(=O)(=O)[O-])c4)/N=N/c4c(S(=O)(=O)[O-])cccc4)O)[n+]4cc(C(=O)O)ccc4)cc3)[n+]3cc(C(=O)O)ccc3)cc(S(=O)(=O)[O-])cc2c1)O)/N=N/c1c(S(=O)(=O)[O-])cccc1.[OH-].[OH-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]