3-[(4-methylphenyl)methyl]penta-1,4-diyn-3-yl ethanoate

Systemtic Name: 3-[(4-methylphenyl)methyl]penta-1,4-diyn-3-yl ethanoate Openeye Name: [1-ethynyl-1-(p-tolylmethyl)prop-2-ynyl] acetate CAS Name: acetic acid 3-[(4-methylphenyl)methyl]penta-1,4-diyn-3-yl ester IUPAC Name: 3-[(4-methylphenyl)methyl]penta-1,4-diyn-3-yl acetate Traditional Name: acetic acid [1-ethynyl-1-(4-methylbenzyl)prop-2-ynyl] ester Formula: C15H14O2 MolecularWeight: 226.27046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14O2/c1-5-15(6-2,17-13(4)16)11-14-9-7-12(3)8-10-14/h1-2,7-10H,11H2,3-4H3