(8-oxidanylidene-1-phenylmethoxy-non-3-yn-5-yl) ethanoate

Systemtic Name: (8-oxidanylidene-1-phenylmethoxy-non-3-yn-5-yl) ethanoate Openeye Name: [5-benzyloxy-1-(3-oxobutyl)pent-2-ynyl] acetate CAS Name: acetic acid (8-oxo-1-phenylmethoxynon-3-yn-5-yl) ester IUPAC Name: (8-oxo-1-phenylmethoxynon-3-yn-5-yl) acetate Traditional Name: acetic acid [5-benzoxy-1-(3-ketobutyl)pent-2-ynyl] ester Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(C#CCCOCC1=CC=CC=C1)OC(=O)C

Isomeric SMILES

CC(=O)CCC(C#CCCOCC1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C18H22O4/c1-15(19)11-12-18(22-16(2)20)10-6-7-13-21-14-17-8-4-3-5-9-17/h3-5,8-9,18H,7,11-14H2,1-2H3