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

Systemtic Name: 2-[4-[4-(3,5-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-2-yl)phenyl]phenyl]-3,5-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium dichloride Openeye Name: 2-[4-[4-(3,5-diphenyl-1,3-dihydrotetrazol-3-ium-2-yl)phenyl]phenyl]-3,5-diphenyl-1,3-dihydrotetrazol-3-ium dichloride CAS Name: 2-[4-[4-(3,5-diphenyl-1,3-dihydrotetrazol-3-ium-2-yl)phenyl]phenyl]-3,5-diphenyl-1,3-dihydrotetrazol-3-ium dichloride IUPAC Name: 2-[4-[4-(3,5-diphenyl-1,3-dihydrotetrazol-3-ium-2-yl)phenyl]phenyl]-3,5-diphenyl-1,3-dihydrotetrazol-3-ium dichloride Traditional Name: 2-[4-[4-(3,5-diphenyl-1,3-dihydrotetrazol-3-ium-2-yl)phenyl]phenyl]-3,5-diphenyl-1,3-dihydrotetrazol-3-ium dichloride Formula: C38H32Cl2N8 MolecularWeight: 671.62028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=N[NH+](N(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5NC(=N[NH+]5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=N[NH+](N(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5NC(=N[NH+]5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8.[Cl-].[Cl-]

InChI

InChI=1S/C38H30N8.2ClH/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,(H,39,41)(H,40,42);2*1H