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)-Benzenesulfonic Acid Disodium Salt
[CAS# 106424-71-9]

Identification

• Name: 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)-Benzenesulfonic Acid Disodium Salt
• Molecular Formula: C₄₂H₂₀Cl₂N₁₂Na₂O₁₀S₂
• Molecular Weight: 1033.70
• CAS Registry Number: 106424-71-9
• SMILES: C1=CC9=C8C7=C1C5=CC=C2C6=C(C(=O)N(C2=O)C4=CC(=C(NC3=NC(=NC(=N3)N)Cl)C=C4)[S]([O-])(=O)=O)C=CC(=C56)C7=CC=C8C(=O)N(C9=O)C%11=CC(=C(NC%10=NC(=NC(=N%10)N)Cl)C=C%11)[S]([O-])(=O)=O.[Na+].[Na+]
• 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