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

Systemtic Name: 2-(4-nitrophenyl)-5-(3,4,5-trihexadecoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-(4-nitrophenyl)-5-(3,4,5-trihexadecoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-(4-nitrophenyl)-5-(3,4,5-trihexadecoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-(4-nitrophenyl)-5-(3,4,5-trihexadecoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-(4-nitrophenyl)-5-(3,4,5-tricetyloxyphenyl)-1,3,4-oxadiazole Formula: C62H105N3O6 MolecularWeight: 988.5136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C62H105N3O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-50-68-58-53-56(62-64-63-61(71-62)55-46-48-57(49-47-55)65(66)67)54-59(69-51-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60(58)70-52-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h46-49,53-54H,4-45,50-52H2,1-3H3