3-(phenylmethyl)penta-1,4-diyn-3-yl ethanoate

Systemtic Name: 3-(phenylmethyl)penta-1,4-diyn-3-yl ethanoate Openeye Name: (1-benzyl-1-ethynyl-prop-2-ynyl) acetate CAS Name: acetic acid 3-(phenylmethyl)penta-1,4-diyn-3-yl ester IUPAC Name: 3-benzylpenta-1,4-diyn-3-yl acetate Traditional Name: acetic acid (1-benzyl-1-ethynyl-prop-2-ynyl) ester Formula: C14H12O2 MolecularWeight: 212.24388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O2/c1-4-14(5-2,16-12(3)15)11-13-9-7-6-8-10-13/h1-2,6-10H,11H2,3H3