5-[4-(8-phenyloctoxy)phenyl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[4-(8-phenyloctoxy)phenyl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[4-(8-phenyloctoxy)phenyl]-2H-tetrazole CAS Name: 5-[4-(8-phenyloctoxy)phenyl]-2H-tetrazole IUPAC Name: 5-[4-(8-phenyloctoxy)phenyl]-2H-tetrazole Traditional Name: 5-[4-(8-phenyloctoxy)phenyl]-2H-tetrazole Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCOC2=CC=C(C=C2)C3=NNN=N3

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCOC2=CC=C(C=C2)C3=NNN=N3

InChI

InChI=1S/C21H26N4O/c1(3-6-10-18-11-7-5-8-12-18)2-4-9-17-26-20-15-13-19(14-16-20)21-22-24-25-23-21/h5,7-8,11-16H,1-4,6,9-10,17H2,(H,22,23,24,25)