[2-hex-1-ynyl-4-(phenylcarbonyl)phenyl] ethanoate

Systemtic Name: [2-hex-1-ynyl-4-(phenylcarbonyl)phenyl] ethanoate Openeye Name: (4-benzoyl-2-hex-1-ynyl-phenyl) acetate CAS Name: acetic acid (4-benzoyl-2-hex-1-ynylphenyl) ester IUPAC Name: (4-benzoyl-2-hex-1-ynylphenyl) acetate Traditional Name: acetic acid (4-benzoyl-2-hex-1-ynyl-phenyl) ester Formula: C21H20O3 MolecularWeight: 320.3817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CCCCC#CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C21H20O3/c1-3-4-5-7-12-18-15-19(13-14-20(18)24-16(2)22)21(23)17-10-8-6-9-11-17/h6,8-11,13-15H,3-5H2,1-2H3