O3-tert-butyl O1-ethyl 2-[(E)-3-bromanyl-3,3-bis(fluoranyl)prop-1-enyl]-2-methyl-propanedioate

Systemtic Name: O3-tert-butyl O1-ethyl 2-[(E)-3-bromanyl-3,3-bis(fluoranyl)prop-1-enyl]-2-methyl-propanedioate Openeye Name: O1-tert-butyl O3-ethyl 2-[(E)-3-bromo-3,3-difluoro-prop-1-enyl]-2-methyl-propanedioate CAS Name: 2-[(E)-3-bromo-3,3-difluoroprop-1-enyl]-2-methylpropanedioic acid O3-tert-butyl ester O1-ethyl ester IUPAC Name: 3-O-tert-butyl 1-O-ethyl 2-[(E)-3-bromo-3,3-difluoroprop-1-enyl]-2-methylpropanedioate Traditional Name: 2-[(E)-3-bromo-3,3-difluoro-prop-1-enyl]-2-methyl-malonic acid O1-tert-butyl ester O3-ethyl ester Formula: C13H19BrF2O4 MolecularWeight: 357.188366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C=CC(F)(F)Br)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C)(/C=C/C(F)(F)Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H19BrF2O4/c1-6-19-9(17)12(5,7-8-13(14,15)16)10(18)20-11(2,3)4/h7-8H,6H2,1-5H3/b8-7+