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Substance Name: Benzenesulfonic acid, 3,3'-((6-(4-morpholinyl)-1,3,5-triazine-2,4-diyl)bis(imino(2-(acetylamino)-4,1-phenylene)-2,1-diazenediyl))bis-, sodium salt (1:2)
RN: 130201-55-7
InChIKey: YZBBSFQXWRJDPR-KDUZSUQQSA-N

Classification Code

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

Molecular Formula

  • C35-H34-N12-O9-S2.2Na

Molecular Weight

  • 876.8406
 
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Names and Synonyms

  • Benzenesulfonic acid, 3,3'-((6-(4-morpholinyl)-1,3,5-triazine-2,4-diyl)bis(imino(2-(acetylamino)-4,1-phenylene)-2,1-diazenediyl))bis-, sodium salt (1:2)

Registry Numbers

CAS Registry Number

  • 130201-55-7

System Generated Number

  • 0130201557

Structure Descriptors

InChI

1S/C35H34N12O9S2.2Na/c1-21(48)36-31-19-23(9-11-29(31)45-43-25-5-3-7-27(17-25)57(50,51)52)38-33-40-34(42-35(41-33)47-13-15-56-16-14-47)39-24-10-12-30(32(20-24)37-22(2)49)46-44-26-6-4-8-28(18-26)58(53,54)55;;/h3-12,17-20H,13-16H2,1-2H3,(H,36,48)(H,37,49)(H,50,51,52)(H,53,54,55)(H2,38,39,40,41,42);;/q;2*+1/b45-43+,46-44+;;

InChIKey

YZBBSFQXWRJDPR-KDUZSUQQSA-N

Smiles

[Na+].[Na+].CC(=O)Nc1cc(Nc2nc(Nc3ccc(N=Nc4cccc(c4)S(=O)(=O)O)c(NC(=O)C)c3)nc(n2)N5CCOCC5)ccc1N=Nc6cccc(c6)S(=O)(=O)O