2-(3,5-diethynylphenyl)-5-(4-octoxyphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(3,5-diethynylphenyl)-5-(4-octoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-(3,5-diethynylphenyl)-5-(4-octoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-(3,5-diethynylphenyl)-5-(4-octoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-(3,5-diethynylphenyl)-5-(4-octoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-(3,5-diethynylphenyl)-5-(4-octoxyphenyl)-1,3,4-oxadiazole Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC(=C3)C#C)C#C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC(=C3)C#C)C#C

InChI

InChI=1S/C26H26N2O2/c1-4-7-8-9-10-11-16-29-24-14-12-22(13-15-24)25-27-28-26(30-25)23-18-20(5-2)17-21(6-3)19-23/h2-3,12-15,17-19H,4,7-11,16H2,1H3