tert-butyl (1S,6S)-2-[(E)-2-(2-bromophenyl)ethenyl]-1-fluoranyl-4-oxidanylidene-6-phenyl-cyclohex-2-ene-1-carboxylate

Systemtic Name: tert-butyl (1S,6S)-2-[(E)-2-(2-bromophenyl)ethenyl]-1-fluoranyl-4-oxidanylidene-6-phenyl-cyclohex-2-ene-1-carboxylate Openeye Name: tert-butyl (1S,6S)-2-[(E)-2-(2-bromophenyl)vinyl]-1-fluoro-4-oxo-6-phenyl-cyclohex-2-ene-1-carboxylate CAS Name: (1S,6S)-2-[(E)-2-(2-bromophenyl)ethenyl]-1-fluoro-4-oxo-6-phenyl-1-cyclohex-2-enecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,6S)-2-[(E)-2-(2-bromophenyl)ethenyl]-1-fluoro-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate Traditional Name: (1S,6S)-2-[(E)-2-(2-bromophenyl)vinyl]-1-fluoro-4-keto-6-phenyl-cyclohex-2-ene-1-carboxylic acid tert-butyl ester Formula: C25H24BrFO3 MolecularWeight: 471.358663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(C(CC(=O)C=C1C=CC2=CC=CC=C2Br)C3=CC=CC=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)[C@@]1([C@@H](CC(=O)C=C1/C=C/C2=CC=CC=C2Br)C3=CC=CC=C3)F

InChI

InChI=1S/C25H24BrFO3/c1-24(2,3)30-23(29)25(27)19(14-13-18-11-7-8-12-22(18)26)15-20(28)16-21(25)17-9-5-4-6-10-17/h4-15,21H,16H2,1-3H3/b14-13+/t21-,25+/m0/s1