heptyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

Systemtic Name: heptyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: heptyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-(trifluoromethyl)phenyl]-2-propenoic acid heptyl ester IUPAC Name: heptyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-(trifluoromethyl)phenyl]acrylic acid heptyl ester Formula: C17H21F3O2 MolecularWeight: 314.34265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C=CC1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C17H21F3O2/c1-2-3-4-5-6-12-22-16(21)11-10-14-8-7-9-15(13-14)17(18,19)20/h7-11,13H,2-6,12H2,1H3/b11-10+