2-phenyl-3-(4-phenylmethoxyphenyl)-5-(4-phenylphenyl)-1,2,3,4-tetrazol-3-ium chloride

Systemtic Name: 2-phenyl-3-(4-phenylmethoxyphenyl)-5-(4-phenylphenyl)-1,2,3,4-tetrazol-3-ium chloride Openeye Name: 2-(4-benzyloxyphenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-2-ium chloride CAS Name: 2-phenyl-3-(4-phenylmethoxyphenyl)-5-(4-phenylphenyl)tetrazol-3-ium chloride IUPAC Name: 2-phenyl-3-(4-phenylmethoxyphenyl)-5-(4-phenylphenyl)tetrazol-3-ium chloride Traditional Name: 2-(4-benzoxyphenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-2-ium chloride Formula: C32H25ClN4O MolecularWeight: 517.0201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)[N+]3=NC(=NN3C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)[N+]3=NC(=NN3C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6.[Cl-]

InChI

InChI=1S/C32H25N4O.ClH/c1-4-10-25(11-5-1)24-37-31-22-20-30(21-23-31)36-34-32(33-35(36)29-14-8-3-9-15-29)28-18-16-27(17-19-28)26-12-6-2-7-13-26;/h1-23H,24H2;1H/q+1;/p-1