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

Systemtic Name: octadecyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: octadecyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-(trifluoromethyl)phenyl]-2-propenoic acid octadecyl ester IUPAC Name: octadecyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-(trifluoromethyl)phenyl]acrylic acid stearyl ester Formula: C28H43F3O2 MolecularWeight: 468.63503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H43F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-33-27(32)22-21-25-19-18-20-26(24-25)28(29,30)31/h18-22,24H,2-17,23H2,1H3/b22-21+