(phenylmethyl) 7-ethoxy-2-oxidanylidene-hept-3-ynoate

Systemtic Name: (phenylmethyl) 7-ethoxy-2-oxidanylidene-hept-3-ynoate Openeye Name: benzyl 7-ethoxy-2-oxo-hept-3-ynoate CAS Name: 7-ethoxy-2-oxo-3-heptynoic acid (phenylmethyl) ester IUPAC Name: benzyl 7-ethoxy-2-oxohept-3-ynoate Traditional Name: 7-ethoxy-2-keto-hept-3-ynoic acid benzyl ester Formula: C16H18O4 MolecularWeight: 274.31172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCC#CC(=O)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCOCCCC#CC(=O)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H18O4/c1-2-19-12-8-4-7-11-15(17)16(18)20-13-14-9-5-3-6-10-14/h3,5-6,9-10H,2,4,8,12-13H2,1H3