[4-(2-phenylethynyl)phenyl] 2,2-dimethylbutanoate

Systemtic Name: [4-(2-phenylethynyl)phenyl] 2,2-dimethylbutanoate Openeye Name: [4-(2-phenylethynyl)phenyl] 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid [4-(2-phenylethynyl)phenyl] ester IUPAC Name: [4-(2-phenylethynyl)phenyl] 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid [4-(2-phenylethynyl)phenyl] ester Formula: C20H20O2 MolecularWeight: 292.3716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OC1=CC=C(C=C1)C#CC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)OC1=CC=C(C=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C20H20O2/c1-4-20(2,3)19(21)22-18-14-12-17(13-15-18)11-10-16-8-6-5-7-9-16/h5-9,12-15H,4H2,1-3H3