[9,9,9-tris(fluoranyl)-1-phenylmethoxy-non-2-yn-4-yl] ethanoate

Systemtic Name: [9,9,9-tris(fluoranyl)-1-phenylmethoxy-non-2-yn-4-yl] ethanoate Openeye Name: [1-(3-benzyloxyprop-1-ynyl)-6,6,6-trifluoro-hexyl] acetate CAS Name: acetic acid (9,9,9-trifluoro-1-phenylmethoxynon-2-yn-4-yl) ester IUPAC Name: (9,9,9-trifluoro-1-phenylmethoxynon-2-yn-4-yl) acetate Traditional Name: acetic acid [4-benzoxy-1-(5,5,5-trifluoropentyl)but-2-ynyl] ester Formula: C18H21F3O3 MolecularWeight: 342.35275

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCCC(F)(F)F)C#CCOCC1=CC=CC=C1

Isomeric SMILES

CC(=O)OC(CCCCC(F)(F)F)C#CCOCC1=CC=CC=C1

InChI

InChI=1S/C18H21F3O3/c1-15(22)24-17(10-5-6-12-18(19,20)21)11-7-13-23-14-16-8-3-2-4-9-16/h2-4,8-9,17H,5-6,10,12-14H2,1H3