4-[5-(3,4,5-trihexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline

Systemtic Name: 4-[5-(3,4,5-trihexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline Openeye Name: 4-[5-(3,4,5-trihexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline CAS Name: 4-[5-(3,4,5-trihexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline IUPAC Name: 4-[5-(3,4,5-trihexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline Traditional Name: [4-[5-(3,4,5-tricetyloxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]amine Formula: C62H107N3O4 MolecularWeight: 958.53068

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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

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)C2=NN=C(O2)C3=CC=C(C=C3)N

InChI

InChI=1S/C62H107N3O4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-50-66-58-53-56(62-65-64-61(69-62)55-46-48-57(63)49-47-55)54-59(67-51-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60(58)68-52-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h46-49,53-54H,4-45,50-52,63H2,1-3H3