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Neotetrazolium chloride(298-95-3) 1H NMR
Product NameNeotetrazolium chloride
CAS298-95-3
Molecular FormulaC38H28Cl2N8
Molecular Weight667.59
InChIInChI=1S/C38H28N8.2ClH/c1-5-13-31(14-6-1)37-39-43(33-17-9-3-10-18-33)45(41-37)35-25-21-29(22-26-35)30-23-27-36(28-24-30)46-42-38(32-15-7-2-8-16-32)40-44(46)34-19-11-4-12-20-34;;/h1-28H;2*1H/q+2;;/p-2
InChIKey WYFYSTBFFDOVJW-UHFFFAOYSA-L
Smiles[N+]1(=NC(C2=CC=CC=C2)=NN1C1C=CC=CC=1)C1C=CC(C2C=CC([N+]3=NC(C4C=CC=CC=4)=NN3C3=CC=CC=C3)=CC=2)=CC=1.[Cl-].[Cl-]
