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

Systemtic Name: 4-methylpentyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: isohexyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-(trifluoromethyl)phenyl]-2-propenoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-(trifluoromethyl)phenyl]acrylic acid isohexyl ester Formula: C16H19F3O2 MolecularWeight: 300.31607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19F3O2/c1-12(2)5-4-10-21-15(20)9-8-13-6-3-7-14(11-13)16(17,18)19/h3,6-9,11-12H,4-5,10H2,1-2H3/b9-8+