5-[2-(4-octylphenyl)phenyl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[2-(4-octylphenyl)phenyl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[2-(4-octylphenyl)phenyl]-2H-tetrazole CAS Name: 5-[2-(4-octylphenyl)phenyl]-2H-tetrazole IUPAC Name: 5-[2-(4-octylphenyl)phenyl]-2H-tetrazole Traditional Name: 5-[2-(4-octylphenyl)phenyl]-2H-tetrazole Formula: C21H26N4 MolecularWeight: 334.45794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3

InChI

InChI=1S/C21H26N4/c1-2-3-4-5-6-7-10-17-13-15-18(16-14-17)19-11-8-9-12-20(19)21-22-24-25-23-21/h8-9,11-16H,2-7,10H2,1H3,(H,22,23,24,25)