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Substance Name: 2-Naphthalenesulfonic acid, 7-((4,6-bis((3-(diethylamino)propyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-, sodium salt (1:2)
RN: 120029-06-3
InChIKey: DDHFUTFJWQQVPR-OLJHSBOJSA-L

Classification Code

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

Molecular Formula

  • C39-H50-N12-O7-S2.2Na

Molecular Weight

  • 906.9972
 
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Names and Synonyms

Synonym

  • EC 419-460-2

Systematic Names

  • 2-Naphthalenesulfonic acid, 7-((4,6-bis((3-(diethylamino)propyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-((4-sulfophenyl)azo)phenyl)azo)-, disodium salt
  • 2-Naphthalenesulfonic acid, 7-((4,6-bis((3-(diethylamino)propyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-, sodium salt (1:2)
  • Disodium 7-((4,6-bis(3-diethylaminopropylamino)-1,3,5-triazine-2-yl)amino)-4-hydroxy-3-(4-(4-sulfonatophenylazo)phenylazo)-2-naphthalene sulfonate

Registry Numbers

CAS Registry Number

  • 120029-06-3

System Generated Number

  • 0120029063

Molecular Formulas

Molecular Formula

  • C39-H50-N12-O7-S2.2Na

Molecular Formula Fragments

  • C39-H50-N12-O7-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H50N12O7S2.2Na/c1-5-50(6-2)23-9-21-40-37-43-38(41-22-10-24-51(7-3)8-4)45-39(44-37)42-31-17-20-33-27(25-31)26-34(60(56,57)58)35(36(33)52)49-48-29-13-11-28(12-14-29)46-47-30-15-18-32(19-16-30)59(53,54)55;;/h11-20,25-26,52H,5-10,21-24H2,1-4H3,(H,53,54,55)(H,56,57,58)(H3,40,41,42,43,44,45);;/q;2*+1/p-2/b47-46+,49-48+;;

InChIKey

DDHFUTFJWQQVPR-OLJHSBOJSA-L

Smiles

c1(S(=O)(=O)[O-])c(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)[O-])cc3)cc2)c(c2c(c1)cc(Nc1nc(nc(n1)NCCCN(CC)CC)NCCCN(CC)CC)cc2)O.[Na+].[Na+]