2-(3-fluorophenyl)-5-(3-methoxy-4-phenylmethoxy-phenyl)-3-phenyl-1,2,3,4-tetrazol-3-ium

Systemtic Name: 2-(3-fluorophenyl)-5-(3-methoxy-4-phenylmethoxy-phenyl)-3-phenyl-1,2,3,4-tetrazol-3-ium Openeye Name: 5-(4-benzyloxy-3-methoxy-phenyl)-2-(3-fluorophenyl)-3-phenyl-tetrazol-3-ium CAS Name: 2-(3-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-3-phenyltetrazol-3-ium IUPAC Name: 2-(3-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-3-phenyltetrazol-3-ium Traditional Name: 5-(4-benzoxy-3-methoxy-phenyl)-2-(3-fluorophenyl)-3-phenyl-tetrazol-3-ium Formula: C27H22FN4O2+ MolecularWeight: 453.487583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC(=CC=C4)F)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC(=CC=C4)F)OCC5=CC=CC=C5

InChI

InChI=1S/C27H22FN4O2/c1-33-26-17-21(15-16-25(26)34-19-20-9-4-2-5-10-20)27-29-31(23-12-6-3-7-13-23)32(30-27)24-14-8-11-22(28)18-24/h2-18H,19H2,1H3/q+1