(6S)-6-(4-bromophenyl)carbonyl-3,3,5,5-tetramethyl-oxane-2,4-dione

Systemtic Name: (6S)-6-(4-bromophenyl)carbonyl-3,3,5,5-tetramethyl-oxane-2,4-dione Openeye Name: (6S)-6-(4-bromobenzoyl)-3,3,5,5-tetramethyl-tetrahydropyran-2,4-dione CAS Name: (6S)-6-[(4-bromophenyl)-oxomethyl]-3,3,5,5-tetramethyloxane-2,4-dione IUPAC Name: (6S)-6-(4-bromobenzoyl)-3,3,5,5-tetramethyloxane-2,4-dione Traditional Name: (6S)-6-(4-bromobenzoyl)-3,3,5,5-tetramethyl-tetrahydropyran-2,4-quinone Formula: C16H17BrO4 MolecularWeight: 353.20778

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC(=O)C(C1=O)(C)C)C(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1([C@H](OC(=O)C(C1=O)(C)C)C(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C16H17BrO4/c1-15(2)12(21-14(20)16(3,4)13(15)19)11(18)9-5-7-10(17)8-6-9/h5-8,12H,1-4H3/t12-/m1/s1