6-(2-ethynylphenyl)hex-5-yn-2-one

Systemtic Name: 6-(2-ethynylphenyl)hex-5-yn-2-one Openeye Name: 6-(2-ethynylphenyl)hex-5-yn-2-one CAS Name: 6-(2-ethynylphenyl)-5-hexyn-2-one IUPAC Name: 6-(2-ethynylphenyl)hex-5-yn-2-one Traditional Name: 6-(2-ethynylphenyl)hex-5-yn-2-one Formula: C14H12O MolecularWeight: 196.24448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC#CC1=CC=CC=C1C#C

Isomeric SMILES

CC(=O)CCC#CC1=CC=CC=C1C#C

InChI

InChI=1S/C14H12O/c1-3-13-9-6-7-11-14(13)10-5-4-8-12(2)15/h1,6-7,9,11H,4,8H2,2H3