1-phenylethyl 3,3,3-tris(fluoranyl)-2-octoxy-propanoate

Systemtic Name: 1-phenylethyl 3,3,3-tris(fluoranyl)-2-octoxy-propanoate Openeye Name: 1-phenylethyl 3,3,3-trifluoro-2-octoxy-propanoate CAS Name: 3,3,3-trifluoro-2-octoxypropanoic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 3,3,3-trifluoro-2-octoxypropanoate Traditional Name: 3,3,3-trifluoro-2-octoxy-propionic acid 1-phenylethyl ester Formula: C19H27F3O3 MolecularWeight: 360.41109

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(C(=O)OC(C)C1=CC=CC=C1)C(F)(F)F

Isomeric SMILES

CCCCCCCCOC(C(=O)OC(C)C1=CC=CC=C1)C(F)(F)F

InChI

InChI=1S/C19H27F3O3/c1-3-4-5-6-7-11-14-24-17(19(20,21)22)18(23)25-15(2)16-12-9-8-10-13-16/h8-10,12-13,15,17H,3-7,11,14H2,1-2H3