4-phenethylhexa-4,5-dien-1-yn-3-yl ethanoate

Systemtic Name: 4-phenethylhexa-4,5-dien-1-yn-3-yl ethanoate Openeye Name: (1-ethynyl-2-phenethyl-buta-2,3-dienyl) acetate CAS Name: acetic acid 4-phenethylhexa-4,5-dien-1-yn-3-yl ester IUPAC Name: 4-phenethylhexa-4,5-dien-1-yn-3-yl acetate Traditional Name: acetic acid (1-ethynyl-2-phenethyl-buta-2,3-dienyl) ester Formula: C16H16O2 MolecularWeight: 240.29704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C#C)C(=C=C)CCC1=CC=CC=C1

Isomeric SMILES

CC(=O)OC(C#C)C(=C=C)CCC1=CC=CC=C1

InChI

InChI=1S/C16H16O2/c1-4-15(16(5-2)18-13(3)17)12-11-14-9-7-6-8-10-14/h2,6-10,16H,1,11-12H2,3H3