(7-oxidanylidene-1-phenylmethoxy-oct-2-yn-4-yl) benzoate

Systemtic Name: (7-oxidanylidene-1-phenylmethoxy-oct-2-yn-4-yl) benzoate Openeye Name: [1-(3-benzyloxyprop-1-ynyl)-4-oxo-pentyl] benzoate CAS Name: benzoic acid (7-oxo-1-phenylmethoxyoct-2-yn-4-yl) ester IUPAC Name: (7-oxo-1-phenylmethoxyoct-2-yn-4-yl) benzoate Traditional Name: benzoic acid [4-benzoxy-1-(3-ketobutyl)but-2-ynyl] ester Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(C#CCOCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)CCC(C#CCOCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H22O4/c1-18(23)14-15-21(26-22(24)20-11-6-3-7-12-20)13-8-16-25-17-19-9-4-2-5-10-19/h2-7,9-12,21H,14-17H2,1H3