7-Benzothiazolesulfonic Acid, 2-[4-[[2-(Cyanoimino)Hexahydro-4,6-Dioxo-5-Pyrimidinyl]Azo]Phenyl]-6-Methyl-, Compd. With 2,2',2''-Nitrilotris[Ethanol]
[CAS# 96294-16-5]

Identification

• Name: 7-Benzothiazolesulfonic Acid, 2-[4-[[2-(Cyanoimino)Hexahydro-4,6-Dioxo-5-Pyrimidinyl]Azo]Phenyl]-6-Methyl-, Compd. With 2,2',2''-Nitrilotris[Ethanol]
• Synonyms: 2-(Bis(2-Hydroxyethyl)Amino)Ethanol; 2-[4-[[2-(Cyanoamino)-4,6-Dioxo-1H-Pyrimidin-5-Yl]Azo]Phenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonic Acid; 2-(Bis(2-Hydroxyethyl)Amino)Ethanol; 2-[4-[[2-(Cyanoamino)-4,6-Diketo-1H-Pyrimidin-5-Yl]Azo]Phenyl]-6-Methyl-1,3-
• Molecular Formula: C₂₅H₂₈N₈O₈S₂
• Molecular Weight: 632.67
• CAS Registry Number: 96294-16-5
• SMILES: C1=CC(=C([S](=O)(=O)O)C2=C1N=C(S2)C4=CC=C(N=NC3C(=O)N=C(NC3=O)NC#N)C=C4)C.C(N(CCO)CCO)CO
• InChI: 1S/C19H13N7O5S2.C6H15NO3/c1-9-2-7-12-14(15(9)33(29,30)31)32-18(22-12)10-3-5-11(6-4-10)25-26-13-16(27)23-19(21-8-20)24-17(13)28;8-4-1-7(2-5-9)3-6-10/h2-7,13H,1H3,(H,29,30,31)(H2,21,23,24,27,28);8-10H,1-6H2
• InChIKey: RSJYKXJNQIFLRF-UHFFFAOYSA-N