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

Systemtic Name: 2-[2-methoxy-4-[3-methoxy-4-[5-[4-(4-methoxyphenyl)phenyl]-3-(4-nitrophenyl)-1,2,3,4-tetrazol-2-ium-2-yl]phenyl]phenyl]-3,5-diphenyl-1,2,3,4-tetrazol-2-ium Openeye Name: 2-[2-methoxy-4-[3-methoxy-4-[5-[4-(4-methoxyphenyl)phenyl]-3-(4-nitrophenyl)tetrazol-2-ium-2-yl]phenyl]phenyl]-3,5-diphenyl-tetrazol-2-ium CAS Name: 2-[2-methoxy-4-[3-methoxy-4-[5-[4-(4-methoxyphenyl)phenyl]-3-(4-nitrophenyl)-2-tetrazol-2-iumyl]phenyl]phenyl]-3,5-diphenyltetrazol-2-ium IUPAC Name: 2-[2-methoxy-4-[3-methoxy-4-[5-[4-(4-methoxyphenyl)phenyl]-3-(4-nitrophenyl)tetrazol-2-ium-2-yl]phenyl]phenyl]-3,5-diphenyltetrazol-2-ium Traditional Name: 2-[2-methoxy-4-[3-methoxy-4-[5-[4-(4-methoxyphenyl)phenyl]-3-(4-nitrophenyl)tetrazol-2-ium-2-yl]phenyl]phenyl]-3,5-diphenyl-tetrazol-2-ium Formula: C47H37N9O5+2 MolecularWeight: 807.85398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN([N+](=N3)C4=C(C=C(C=C4)C5=CC(=C(C=C5)[N+]6=NC(=NN6C7=CC=CC=C7)C8=CC=CC=C8)OC)OC)C9=CC=C(C=C9)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN([N+](=N3)C4=C(C=C(C=C4)C5=CC(=C(C=C5)[N+]6=NC(=NN6C7=CC=CC=C7)C8=CC=CC=C8)OC)OC)C9=CC=C(C=C9)[N+](=O)[O-]

InChI

InChI=1S/C47H37N9O5/c1-59-41-26-18-33(19-27-41)32-14-16-35(17-15-32)47-49-53(39-22-24-40(25-23-39)56(57)58)55(51-47)43-29-21-37(31-45(43)61-3)36-20-28-42(44(30-36)60-2)54-50-46(34-10-6-4-7-11-34)48-52(54)38-12-8-5-9-13-38/h4-31H,1-3H3/q+2