2-(4-nitrophenyl)-5-(3,4,5-tridodecoxyphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(4-nitrophenyl)-5-(3,4,5-tridodecoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-(4-nitrophenyl)-5-(3,4,5-tridodecoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-(4-nitrophenyl)-5-(3,4,5-tridodecoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-(4-nitrophenyl)-5-(3,4,5-tridodecoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-(4-nitrophenyl)-5-(3,4,5-trilauryloxyphenyl)-1,3,4-oxadiazole Formula: C50H81N3O6 MolecularWeight: 820.19464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C50H81N3O6/c1-4-7-10-13-16-19-22-25-28-31-38-56-46-41-44(50-52-51-49(59-50)43-34-36-45(37-35-43)53(54)55)42-47(57-39-32-29-26-23-20-17-14-11-8-5-2)48(46)58-40-33-30-27-24-21-18-15-12-9-6-3/h34-37,41-42H,4-33,38-40H2,1-3H3