(2,4,6-trimethylphenyl) (E)-4-bromanyl-4,4-bis(fluoranyl)but-2-enoate

Systemtic Name: (2,4,6-trimethylphenyl) (E)-4-bromanyl-4,4-bis(fluoranyl)but-2-enoate Openeye Name: (2,4,6-trimethylphenyl) (E)-4-bromo-4,4-difluoro-but-2-enoate CAS Name: (E)-4-bromo-4,4-difluoro-2-butenoic acid (2,4,6-trimethylphenyl) ester IUPAC Name: (2,4,6-trimethylphenyl) (E)-4-bromo-4,4-difluorobut-2-enoate Traditional Name: (E)-4-bromo-4,4-difluoro-but-2-enoic acid mesityl ester Formula: C13H13BrF2O2 MolecularWeight: 319.141926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OC(=O)C=CC(F)(F)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OC(=O)/C=C/C(F)(F)Br)C

InChI

InChI=1S/C13H13BrF2O2/c1-8-6-9(2)12(10(3)7-8)18-11(17)4-5-13(14,15)16/h4-7H,1-3H3/b5-4+