[(5S)-1-phenyldec-9-en-3-yn-5-yl] ethanoate

Systemtic Name: [(5S)-1-phenyldec-9-en-3-yn-5-yl] ethanoate Openeye Name: [(1S)-1-(4-phenylbut-1-ynyl)hex-5-enyl] acetate CAS Name: acetic acid [(5S)-1-phenyldec-9-en-3-yn-5-yl] ester IUPAC Name: [(5S)-1-phenyldec-9-en-3-yn-5-yl] acetate Traditional Name: acetic acid [(1S)-1-(4-phenylbut-1-ynyl)hex-5-enyl] ester Formula: C18H22O2 MolecularWeight: 270.36608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCC=C)C#CCCC1=CC=CC=C1

Isomeric SMILES

CC(=O)O[C@@H](CCCC=C)C#CCCC1=CC=CC=C1

InChI

InChI=1S/C18H22O2/c1-3-4-6-14-18(20-16(2)19)15-10-9-13-17-11-7-5-8-12-17/h3,5,7-8,11-12,18H,1,4,6,9,13-14H2,2H3/t18-/m0/s1