1-[2-[2-(3,5-dimethylphenyl)ethynyl]phenyl]but-2-yn-1-one

Systemtic Name: 1-[2-[2-(3,5-dimethylphenyl)ethynyl]phenyl]but-2-yn-1-one Openeye Name: 1-[2-[2-(3,5-dimethylphenyl)ethynyl]phenyl]but-2-yn-1-one CAS Name: 1-[2-[2-(3,5-dimethylphenyl)ethynyl]phenyl]-2-butyn-1-one IUPAC Name: 1-[2-[2-(3,5-dimethylphenyl)ethynyl]phenyl]but-2-yn-1-one Traditional Name: 1-[2-[2-(3,5-dimethylphenyl)ethynyl]phenyl]but-2-yn-1-one Formula: C20H16O MolecularWeight: 272.34044

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)C1=CC=CC=C1C#CC2=CC(=CC(=C2)C)C

Isomeric SMILES

CC#CC(=O)C1=CC=CC=C1C#CC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C20H16O/c1-4-7-20(21)19-9-6-5-8-18(19)11-10-17-13-15(2)12-16(3)14-17/h5-6,8-9,12-14H,1-3H3