Sodium 2-(Hexadecyloxy)-5-[7-[(1-Phenyl-1H-Tetrazol-5-Yl)Thio]-7H-1,2,4-Triazolo[3,4-b][1,3,4]Thiadiazin-6-Yl]Benzenesulphonate
[CAS 66209-67-4]

Identification

• Name: Sodium 2-(Hexadecyloxy)-5-[7-[(1-Phenyl-1H-Tetrazol-5-Yl)Thio]-7H-1,2,4-Triazolo[3,4-b][1,3,4]Thiadiazin-6-Yl]Benzenesulphonate
• Synonyms: Sodium 2-Hexadecoxy-5-[7-[(1-Phenyl-5-Tetrazolyl)Thio]-7H-[1,2,4]Triazolo[3,4-B][1,3,4]Thiadiazin-6-Yl]Benzenesulfonate; Sodium 2-Cetyloxy-5-[7-[(1-Phenyltetrazol-5-Yl)Thio]-7H-[1,2,4]Triazolo[3,4-B][1,3,4]Thiadiazin-6-Yl]Benzenesulfonate; Sodium 2-Hexadecoxy-5-[7-[(1-Phenyl-1,2,3,4-Tetrazol-5-Yl)Sulfanyl]-7H-[1,2,4]Triazolo[3,4-B][1,3,4]Thiadiazin-6-Yl]Benzenesulfonate
• Molecular Formula: C₃₃H₄₃N₈NaO₄S₃
• Molecular Weight: 734.92
• CAS Registry Number: 66209-67-4
• EINECS: 266-238-4
• SMILES: C1=C([S]([O-])(=O)=O)C(=CC=C1C3=N[N]2C(=NN=C2)SC3SC4=NN=N[N]4C5=CC=CC=C5)OCCCCCCCCCCCCCCCC.[Na+]
• InChI: 1S/C33H44N8O4S3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-45-28-22-21-26(24-29(28)48(42,43)44)30-31(46-32-35-34-25-40(32)37-30)47-33-36-38-39-41(33)27-19-16-15-17-20-27;/h15-17,19-22,24-25,31H,2-14,18,23H2,1H3,(H,42,43,44);/q;+1/p-1
• InChIKey: PBEBYNCXTMVYLQ-UHFFFAOYSA-M