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

Systemtic Name: 2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium dichloride Openeye Name: 2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyl-1,3-dihydrotetrazol-3-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyl-1,3-dihydrotetrazol-3-ium dichloride CAS Name: 2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyl-1,3-dihydrotetrazol-3-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyl-1,3-dihydrotetrazol-3-ium dichloride IUPAC Name: 2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyl-1,3-dihydrotetrazol-3-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyl-1,3-dihydrotetrazol-3-ium dichloride Traditional Name: 2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyl-1,3-dihydrotetrazol-3-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyl-1,3-dihydrotetrazol-3-ium dichloride Formula: C40H34Cl2N10O6 MolecularWeight: 821.66736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3NC(=N[NH+]3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)OC)N6NC(=N[NH+]6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8.[Cl-].[Cl-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3NC(=N[NH+]3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)OC)N6NC(=N[NH+]6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8.[Cl-].[Cl-]

InChI

InChI=1S/C40H32N10O6.2ClH/c1-55-37-25-29(13-23-35(37)47-43-39(27-9-5-3-6-10-27)41-45(47)31-15-19-33(20-16-31)49(51)52)30-14-24-36(38(26-30)56-2)48-44-40(28-11-7-4-8-12-28)42-46(48)32-17-21-34(22-18-32)50(53)54;;/h3-26H,1-2H3,(H,41,43)(H,42,44);2*1H