(7-oxidanyl-1-phenyl-hept-1-yn-3-yl) ethanoate

Systemtic Name: (7-oxidanyl-1-phenyl-hept-1-yn-3-yl) ethanoate Openeye Name: [5-hydroxy-1-(2-phenylethynyl)pentyl] acetate CAS Name: acetic acid (7-hydroxy-1-phenylhept-1-yn-3-yl) ester IUPAC Name: (7-hydroxy-1-phenylhept-1-yn-3-yl) acetate Traditional Name: acetic acid [1-(4-hydroxybutyl)-3-phenyl-prop-2-ynyl] ester Formula: C15H18O3 MolecularWeight: 246.30162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O3/c1-13(17)18-15(9-5-6-12-16)11-10-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9,12H2,1H3