Trisodium 2-[3-Sulfonato-4-[(E)-2-[2-Sulfonato-4-(1,2,4-Triazol-1-Yl)Phenyl]Ethenyl]Phenyl]Benzo[E]Benzotriazole-7-Sulfonate
[CAS# 30468-49-6]

Identification

• Name: Trisodium 2-[3-Sulfonato-4-[(E)-2-[2-Sulfonato-4-(1,2,4-Triazol-1-Yl)Phenyl]Ethenyl]Phenyl]Benzo[E]Benzotriazole-7-Sulfonate
• Synonyms: Trisodium 2-[3-Sulfonato-4-[(E)-2-[2-Sulfonato-4-(1,2,4-Triazol-1-Yl)Phenyl]Vinyl]Phenyl]Benzo[E]Benzotriazole-7-Sulfonate; Trisodium 2-[3-Sulfonato-4-[(E)-2-[2-Sulfonato-4-(1,2,4-Triazol-1-Yl)Phenyl]Vinyl]Phenyl]-7-Benzo[E]Benzotriazolesulfonate; 2,2'-Stilbenedisulfonic Acid, 4-(7-Sulfo-2H-Naphtho(1,2-D)Triazol-2-Yl)-4'-(1,2,4-Triazol-1-Yl)-, Trisodium Salt
• Molecular Formula: C₂₆H₁₅N₆Na₃O₉S₃
• Molecular Weight: 720.59
• CAS Registry Number: 30468-49-6
• SMILES: C1=CC6=C(C2=N[N](N=C12)C3=CC=C(C(=C3)[S]([O-])(=O)=O)\C=C\C5=CC=C([N]4N=CN=C4)C=C5[S]([O-])(=O)=O)C=CC(=C6)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C26H18N6O9S3.3Na/c33-42(34,35)21-8-9-22-18(11-21)5-10-23-26(22)30-32(29-23)20-7-4-17(25(13-20)44(39,40)41)2-1-16-3-6-19(31-15-27-14-28-31)12-24(16)43(36,37)38;;;/h1-15H,(H,33,34,35)(H,36,37,38)(H,39,40,41);;;/q;3*+1/p-3/b2-1+
• InChIKey: IEHYTHROGHBJMT-YOTINIEPSA-K