(6-methyl-1-phenyl-hept-5-en-1-yn-4-yl) ethanoate

Systemtic Name: (6-methyl-1-phenyl-hept-5-en-1-yn-4-yl) ethanoate Openeye Name: [3-methyl-1-(3-phenylprop-2-ynyl)but-2-enyl] acetate CAS Name: acetic acid (6-methyl-1-phenylhept-5-en-1-yn-4-yl) ester IUPAC Name: (6-methyl-1-phenylhept-5-en-1-yn-4-yl) acetate Traditional Name: acetic acid [3-methyl-1-(3-phenylprop-2-ynyl)but-2-enyl] ester Formula: C16H18O2 MolecularWeight: 242.31292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O2/c1-13(2)12-16(18-14(3)17)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12,16H,11H2,1-3H3