3,3'-(3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(5-(4-(aminothioxomethyl)phenyl)-2-(4-nitrophenyl)-2H-tetrazolium) dichloride
[CAS# 36889-43-7]

Identification

• Name: 3,3'-(3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(5-(4-(aminothioxomethyl)phenyl)-2-(4-nitrophenyl)-2H-tetrazolium) dichloride
• Synonyms: 4-[2-[4-[4-[5-(4-Carbamothioylphenyl)-3-(4-Nitrophenyl)Tetrazol-2-Ium-2-Yl]-3-Methoxy-Phenyl]-2-Methoxy-Phenyl]-3-(4-Nitrophenyl)Tetrazol-2-Ium-5-Yl]Benzenecarbothioamide Dichloride; 4-[2-[4-[4-[5-(4-Carbamothioylphenyl)-3-(4-Nitrophenyl)-2-Tetrazol-2-Iumyl]-3-Methoxyphenyl]-2-Methoxyphenyl]-3-(4-Nitrophenyl)-5-Tetrazol-2-Iumyl]Benzenecarbothioamide Dichloride; 4-[2-[2-Methoxy-4-[3-Methoxy-4-[3-(4-Nitrophenyl)-5-(4-Thiocarbamoylphenyl)Tetrazol-2-Ium-2-Yl]Phenyl]Phenyl]-3-(4-Nitrophenyl)Tetrazol-2-Ium-5-Yl]Thiobenzamide Dichloride
• Molecular Formula: C₄₂H₃₂Cl₂N₁₂O₆S₂
• Molecular Weight: 935.82
• CAS Registry Number: 36889-43-7
• EINECS: 253-257-8
• SMILES: C1=CC(=CC(=C1[N+]2=NC(=N[N]2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(N)=S)OC)C8=CC(=C([N+]5=NC(=N[N]5C6=CC=C([N+](=O)[O-])C=C6)C7=CC=C(C(N)=S)C=C7)C=C8)OC.[Cl-].[Cl-]
• InChI: 1S/C42H30N12O6S2.2ClH/c1-59-37-23-29(11-21-35(37)51-47-41(27-7-3-25(4-8-27)39(43)61)45-49(51)31-13-17-33(18-14-31)53(55)56)30-12-22-36(38(24-30)60-2)52-48-42(28-9-5-26(6-10-28)40(44)62)46-50(52)32-15-19-34(20-16-32)54(57)58;;/h3-24H,1-2H3,(H2-2,43,44,61,62);2*1H
• InChIKey: VTWBTCNQXRKYSS-UHFFFAOYSA-N