2-[4-[4-(3,5-diphenyl-1,2,3,4-tetrazol-2-ium-2-yl)phenyl]phenyl]-3,5-diphenyl-1,2,3,4-tetrazol-2-ium; ethyl sulfate; dichloride

Systemtic Name: 2-[4-[4-(3,5-diphenyl-1,2,3,4-tetrazol-2-ium-2-yl)phenyl]phenyl]-3,5-diphenyl-1,2,3,4-tetrazol-2-ium; ethyl sulfate; dichloride Openeye Name: 2-[4-[4-(3,5-diphenyltetrazol-2-ium-2-yl)phenyl]phenyl]-3,5-diphenyl-tetrazol-2-ium; ethyl sulfate; dichloride CAS Name: 2-[4-[4-(3,5-diphenyl-2-tetrazol-2-iumyl)phenyl]phenyl]-3,5-diphenyltetrazol-2-ium; ethyl sulfate; dichloride IUPAC Name: 2-[4-[4-(3,5-diphenyltetrazol-2-ium-2-yl)phenyl]phenyl]-3,5-diphenyltetrazol-2-ium; ethyl sulfate; dichloride Traditional Name: 2-[4-[4-(3,5-diphenyltetrazol-2-ium-2-yl)phenyl]phenyl]-3,5-diphenyl-tetrazol-2-ium; ethyl sulfate; dichloride Formula: C40H33Cl2N8O4S- MolecularWeight: 792.71222

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)[O-].C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=C(C=C3)C4=CC=C(C=C4)[N+]5=NC(=NN5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8.[Cl-].[Cl-]

Isomeric SMILES

CCOS(=O)(=O)[O-].C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=C(C=C3)C4=CC=C(C=C4)[N+]5=NC(=NN5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8.[Cl-].[Cl-]

InChI

InChI=1S/C38H28N8.C2H6O4S.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;1-2-6-7(3,4)5;;/h1-28H;2H2,1H3,(H,3,4,5);2*1H/q+2;;;/p-3