hexadecan-4-yl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

Systemtic Name: hexadecan-4-yl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: 1-propyltridecyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-(trifluoromethyl)phenyl]-2-propenoic acid hexadecan-4-yl ester IUPAC Name: hexadecan-4-yl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-(trifluoromethyl)phenyl]acrylic acid 1-propyltridecyl ester Formula: C26H39F3O2 MolecularWeight: 440.58187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC)OC(=O)C=CC1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCC(CCC)OC(=O)/C=C/C1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C26H39F3O2/c1-3-5-6-7-8-9-10-11-12-13-18-24(15-4-2)31-25(30)20-19-22-16-14-17-23(21-22)26(27,28)29/h14,16-17,19-21,24H,3-13,15,18H2,1-2H3/b20-19+