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

Systemtic Name: hexadecyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: hexadecyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-(trifluoromethyl)phenyl]-2-propenoic acid hexadecyl ester IUPAC Name: hexadecyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-(trifluoromethyl)phenyl]acrylic acid cetyl ester Formula: C26H39F3O2 MolecularWeight: 440.58187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-31-25(30)20-19-23-17-16-18-24(22-23)26(27,28)29/h16-20,22H,2-15,21H2,1H3/b20-19+