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

Systemtic Name: 4-[2-[4-(oxan-2-yloxy)phenyl]ethynyl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-phenyl-4-[2-(4-tetrahydropyran-2-yloxyphenyl)ethynyl]oxadiazol-3-ium-5-olate CAS Name: 4-[2-[4-(2-oxanyloxy)phenyl]ethynyl]-3-phenyl-5-oxadiazol-3-iumolate IUPAC Name: 4-[2-[4-(oxan-2-yloxy)phenyl]ethynyl]-3-phenyloxadiazol-3-ium-5-olate Traditional Name: 3-phenyl-4-[2-(4-tetrahydropyran-2-yloxyphenyl)ethynyl]oxadiazol-3-ium-5-olate Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC2=CC=C(C=C2)C#CC3=C(ON=[N+]3C4=CC=CC=C4)[O-]

Isomeric SMILES

C1CCOC(C1)OC2=CC=C(C=C2)C#CC3=C(ON=[N+]3C4=CC=CC=C4)[O-]

InChI

InChI=1S/C21H18N2O4/c24-21-19(23(22-27-21)17-6-2-1-3-7-17)14-11-16-9-12-18(13-10-16)26-20-8-4-5-15-25-20/h1-3,6-7,9-10,12-13,20H,4-5,8,15H2