[(2S)-2-(4-bromophenyl)-3,3,5-trimethyl-6-oxidanylidene-2H-pyran-4-yl] ethanoate

Systemtic Name: [(2S)-2-(4-bromophenyl)-3,3,5-trimethyl-6-oxidanylidene-2H-pyran-4-yl] ethanoate Openeye Name: [(2S)-2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] acetate CAS Name: acetic acid [(2S)-2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] ester IUPAC Name: [(2S)-2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] acetate Traditional Name: acetic acid [(2S)-2-(4-bromophenyl)-6-keto-3,3,5-trimethyl-2H-pyran-4-yl] ester Formula: C16H17BrO4 MolecularWeight: 353.20778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(OC1=O)C2=CC=C(C=C2)Br)(C)C)OC(=O)C

Isomeric SMILES

CC1=C(C([C@@H](OC1=O)C2=CC=C(C=C2)Br)(C)C)OC(=O)C

InChI

InChI=1S/C16H17BrO4/c1-9-13(20-10(2)18)16(3,4)14(21-15(9)19)11-5-7-12(17)8-6-11/h5-8,14H,1-4H3/t14-/m0/s1