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

Systemtic Name: (phenylmethyl) (E)-3-[4-bromanyl-3-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: benzyl (E)-3-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-bromo-3-(trifluoromethyl)phenyl]-2-propenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-3-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-bromo-3-(trifluoromethyl)phenyl]acrylic acid benzyl ester Formula: C17H12BrF3O2 MolecularWeight: 385.17519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C=CC2=CC(=C(C=C2)Br)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)/C=C/C2=CC(=C(C=C2)Br)C(F)(F)F

InChI

InChI=1S/C17H12BrF3O2/c18-15-8-6-12(10-14(15)17(19,20)21)7-9-16(22)23-11-13-4-2-1-3-5-13/h1-10H,11H2/b9-7+