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

Systemtic Name: 1-phenylethyl 3,3,3-tris(fluoranyl)-2-heptoxy-propanoate Openeye Name: 1-phenylethyl 3,3,3-trifluoro-2-heptoxy-propanoate CAS Name: 3,3,3-trifluoro-2-heptoxypropanoic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 3,3,3-trifluoro-2-heptoxypropanoate Traditional Name: 3,3,3-trifluoro-2-heptoxy-propionic acid 1-phenylethyl ester Formula: C18H25F3O3 MolecularWeight: 346.38451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25F3O3/c1-3-4-5-6-10-13-23-16(18(19,20)21)17(22)24-14(2)15-11-8-7-9-12-15/h7-9,11-12,14,16H,3-6,10,13H2,1-2H3