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127615-60-5 , 3-Nitrotetrazolium blue chloride ;
3,3'-(3,3'-Dimethoxy-4,4'-biphenylene)bis[5-(3-nitrophenyl)-2-phenyl-2H-tetrazolium chloride]
Cas:127615-60-5
C40H30Cl2N10O6 / 817.64
MFCD00036854
3,3'-(3,3'-Dimethoxy-4,4'-biphenylene)bis[5-(3-nitrophenyl)-2-phenyl-2H-tetrazolium chloride]
| CAS Number | 127615-60-5 |
| Product Name | 3-Nitrotetrazolium blue chloride |
| IUPAC Name | 2-[2-methoxy-4-[3-methoxy-4-[3-(3-nitrophenyl)-5-phenyltetrazol-2-ium-2-yl]phenyl]phenyl]-3-(3-nitrophenyl)-5-phenyltetrazol-2-ium;dichloride |
| Molecular Formula | C40H30Cl2N10O6 |
| Molecular Weight | 817.64 g/mol |
| InChI | InChI=1S/C40H30N10O6.2ClH/c1-55-37-23-29(19-21-35(37)47-43-39(27-11-5-3-6-12-27)41-45(47)31-15-9-17-33(25-31)49(51)52)30-20-22-36(38(24-30)56-2)48-44-40(28-13-7-4-8-14-28)42-46(48)32-16-10-18-34(26-32)50(53)54;;/h3-26H,1-2H3;2*1H/q+2;;/p-2 |
| InChI Key | ULQIZYUDGJIPRV-UHFFFAOYSA-L |
| SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5)OC)[N+]6=NC(=NN6C7=CC(=CC=C7)[N+](=O)[O-])C8=CC=CC=C8.[Cl-].[Cl-] |
| Canonical SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5)OC)[N+]6=NC(=NN6C7=CC(=CC=C7)[N+](=O)[O-])C8=CC=CC=C8.[Cl-].[Cl-] |
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