2-[4-[[4-[[3-[[5-(Aminocarbonyl)-1-Ethyl-1,6-Dihydro-2-Hydroxy-4-Methyl-6-Oxo-3-Pyridinyl]Azo]-4-Sulfophenyl] Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino] Phenyl]-6-Methyl-7-Benzothiazolesulfonic Acid Disodium Salt
[CAS# 85665-95-8]

Identification

• Name: 2-[4-[[4-[[3-[[5-(Aminocarbonyl)-1-Ethyl-1,6-Dihydro-2-Hydroxy-4-Methyl-6-Oxo-3-Pyridinyl]Azo]-4-Sulfophenyl] Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino] Phenyl]-6-Methyl-7-Benzothiazolesulfonic Acid Disodium Salt
• Synonyms: 7-Benzothiazolesulfonic acid, 2-(4-((4-((3-((5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)azo)-4-sulfophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)-6-methyl-, disodium salt
• Molecular Formula: C₃₂H₂₅ClN₁₀Na₂O₉S₃
• Molecular Weight: 871.23
• CAS Registry Number: 85665-95-8
• SMILES: [Na+].[Na+].[O-]S(=O)(=O)c2ccc(cc2N/N=C1\C(=C(\C(=O)N)C(=O)N(C1=O)CC)C)Nc3nc(nc(Cl)n3)Nc6ccc(c4nc5ccc(c(c5s4)S([O-])(=O)=O)C)cc6
• InChI: 1S/C32H27ClN10O9S3.2Na/c1-4-43-28(45)22(26(34)44)15(3)23(29(43)46)42-41-20-13-18(10-12-21(20)54(47,48)49)36-32-39-30(33)38-31(40-32)35-17-8-6-16(7-9-17)27-37-19-11-5-14(2)25(24(19)53-27)55(50,51)52;;/h5-13,41H,4H2,1-3H3,(H2,34,44)(H,47,48,49)(H,50,51,52)(H2,35,36,38,39,40);;/q;2*+1/p-2/b42-23+
• InChIKey: BWSKGMQBYKIQKD-YQFMASOQSA-L