[(2S,3R)-2-(3-oxidanylidene-3-phenyl-prop-1-ynyl)oxan-3-yl] ethanoate

Systemtic Name: [(2S,3R)-2-(3-oxidanylidene-3-phenyl-prop-1-ynyl)oxan-3-yl] ethanoate Openeye Name: [(2S,3R)-2-(3-oxo-3-phenyl-prop-1-ynyl)tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R)-2-(3-oxo-3-phenylprop-1-ynyl)-3-oxanyl] ester IUPAC Name: [(2S,3R)-2-(3-oxo-3-phenylprop-1-ynyl)oxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R)-2-(3-keto-3-phenyl-prop-1-ynyl)tetrahydropyran-3-yl] ester Formula: C16H16O4 MolecularWeight: 272.29584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCOC1C#CC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)O[C@@H]1CCCO[C@H]1C#CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16O4/c1-12(17)20-16-8-5-11-19-15(16)10-9-14(18)13-6-3-2-4-7-13/h2-4,6-7,15-16H,5,8,11H2,1H3/t15-,16+/m0/s1