3-[2-[2-(4-pentylphenyl)ethynyl]phenyl]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-[2-[2-(4-pentylphenyl)ethynyl]phenyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[2-[2-(4-pentylphenyl)ethynyl]phenyl]oxadiazol-3-ium-5-olate CAS Name: 3-[2-[2-(4-pentylphenyl)ethynyl]phenyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[2-[2-(4-pentylphenyl)ethynyl]phenyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[2-[2-(4-amylphenyl)ethynyl]phenyl]oxadiazol-3-ium-5-olate Formula: C21H20N2O2 MolecularWeight: 332.3957

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C#CC2=CC=CC=C2[N+]3=NOC(=C3)[O-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C#CC2=CC=CC=C2[N+]3=NOC(=C3)[O-]

InChI

InChI=1S/C21H20N2O2/c1-2-3-4-7-17-10-12-18(13-11-17)14-15-19-8-5-6-9-20(19)23-16-21(24)25-22-23/h5-6,8-13,16H,2-4,7H2,1H3