4-(phenylmethyl)hexa-4,5-dien-1-yn-3-yl ethanoate

Systemtic Name: 4-(phenylmethyl)hexa-4,5-dien-1-yn-3-yl ethanoate Openeye Name: (2-benzyl-1-ethynyl-buta-2,3-dienyl) acetate CAS Name: acetic acid 4-(phenylmethyl)hexa-4,5-dien-1-yn-3-yl ester IUPAC Name: 4-benzylhexa-4,5-dien-1-yn-3-yl acetate Traditional Name: acetic acid (2-benzyl-1-ethynyl-buta-2,3-dienyl) ester Formula: C15H14O2 MolecularWeight: 226.27046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14O2/c1-4-14(15(5-2)17-12(3)16)11-13-9-7-6-8-10-13/h2,6-10,15H,1,11H2,3H3