(3-phenylphenyl)methyl 3-[(E)-2-bromanyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate

Systemtic Name: (3-phenylphenyl)methyl 3-[(E)-2-bromanyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate Openeye Name: (3-phenylphenyl)methyl 3-[(E)-2-bromo-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate CAS Name: 3-[(E)-2-bromo-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid (3-phenylphenyl)methyl ester IUPAC Name: (3-phenylphenyl)methyl 3-[(E)-2-bromo-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate Traditional Name: 3-[(E)-2-bromo-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid (3-phenylbenzyl) ester Formula: C22H20BrF3O2 MolecularWeight: 453.29221

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1C(=O)OCC2=CC=CC(=C2)C3=CC=CC=C3)C=C(C(F)(F)F)Br)C

Isomeric SMILES

CC1(C(C1C(=O)OCC2=CC=CC(=C2)C3=CC=CC=C3)/C=C(\C(F)(F)F)/Br)C

InChI

InChI=1S/C22H20BrF3O2/c1-21(2)17(12-18(23)22(24,25)26)19(21)20(27)28-13-14-7-6-10-16(11-14)15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/b18-12+