5-(3,4-dimethoxybiphenylen-1-yl)-2,3-diphenyl-1H-1,2,3,4-tetrazol-4-ium chloride

Systemtic Name: 5-(3,4-dimethoxybiphenylen-1-yl)-2,3-diphenyl-1H-1,2,3,4-tetrazol-4-ium chloride Openeye Name: 5-(3,4-dimethoxybiphenylen-1-yl)-2,3-diphenyl-1H-tetrazol-4-ium chloride CAS Name: 5-(3,4-dimethoxy-1-biphenylenyl)-2,3-diphenyl-1H-tetrazol-4-ium chloride IUPAC Name: 5-(3,4-dimethoxybiphenylen-1-yl)-2,3-diphenyl-1H-tetrazol-4-ium chloride Traditional Name: 5-(3,4-dimethoxybiphenylen-1-yl)-2,3-diphenyl-1H-tetrazol-4-ium chloride Formula: C27H23ClN4O2 MolecularWeight: 470.95012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C3=CC=CC=C32)C(=C1)C4=[NH+]N(N(N4)C5=CC=CC=C5)C6=CC=CC=C6)OC.[Cl-]

Isomeric SMILES

COC1=C(C2=C(C3=CC=CC=C32)C(=C1)C4=[NH+]N(N(N4)C5=CC=CC=C5)C6=CC=CC=C6)OC.[Cl-]

InChI

InChI=1S/C27H22N4O2.ClH/c1-32-23-17-22(24-20-15-9-10-16-21(20)25(24)26(23)33-2)27-28-30(18-11-5-3-6-12-18)31(29-27)19-13-7-4-8-14-19;/h3-17H,1-2H3,(H,28,29);1H