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Substance Name: Benzenesulfonic acid, 3,3'-(1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-2,9-diyl)bis(6-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-, sodium salt (1:2)
RN: 106424-71-9
InChIKey: PWIJAJCXCYJOMB-UHFFFAOYSA-L

Molecular Formula

  • C42-H22-Cl2-N12-O10-S2.2Na

Molecular Weight

  • 1033.71
 
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Names and Synonyms

Synonym

  • Benzenesulfonic acid, 3,3'-(1,2,3,8,9,10-hexahydro-1,3,8,10-tetraoxoanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-2,9-diyl)bis(6-((4-amino-6-chloro-s-triazin-2-yl)amino)-, disodium salt

Systematic Names

  • Benzenesulfonic acid, 3,3'-(1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-2,9-diyl)bis(6-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-, disodium salt
  • Benzenesulfonic acid, 3,3'-(1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-2,9-diyl)bis(6-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-, sodium salt (1:2)

Registry Numbers

CAS Registry Number

  • 106424-71-9

System Generated Number

  • 0106424719

Molecular Formulas

Molecular Formula

  • C42-H22-Cl2-N12-O10-S2.2Na

Molecular Formula Fragments

  • C42-H22-Cl2-N12-O10-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C42H22Cl2N12O10S2.2Na/c43-37-49-39(45)53-41(51-37)47-25-11-1-15(13-27(25)67(61,62)63)55-33(57)21-7-3-17-19-5-9-23-32-24(10-6-20(30(19)32)18-4-8-22(34(55)58)31(21)29(17)18)36(60)56(35(23)59)16-2-12-26(28(14-16)68(64,65)66)48-42-52-38(44)50-40(46)54-42;;/h1-14H,(H,61,62,63)(H,64,65,66)(H3,45,47,49,51,53)(H3,46,48,50,52,54);;/q;2*+1/p-2

InChIKey

PWIJAJCXCYJOMB-UHFFFAOYSA-L

Smiles

n1c(Nc2ccc(N3C(c4c5c(C3=O)ccc3c5c(c5c6c3ccc3C(N(c7cc(c(Nc8nc(nc(n8)N)Cl)cc7)S([O-])(=O)=O)C(c(c63)cc5)=O)=O)cc4)=O)cc2S([O-])(=O)=O)nc(nc1N)Cl.[Na+].[Na+]