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

Systemtic Name: (6S)-6-(4-bromophenyl)-3,5,5-trimethyl-oxane-2,4-dione Openeye Name: (6S)-6-(4-bromophenyl)-3,5,5-trimethyl-tetrahydropyran-2,4-dione CAS Name: (6S)-6-(4-bromophenyl)-3,5,5-trimethyloxane-2,4-dione IUPAC Name: (6S)-6-(4-bromophenyl)-3,5,5-trimethyloxane-2,4-dione Traditional Name: (6S)-6-(4-bromophenyl)-3,5,5-trimethyl-tetrahydropyran-2,4-quinone Formula: C14H15BrO3 MolecularWeight: 311.1711

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(C(OC1=O)C2=CC=C(C=C2)Br)(C)C

Isomeric SMILES

CC1C(=O)C([C@@H](OC1=O)C2=CC=C(C=C2)Br)(C)C

InChI

InChI=1S/C14H15BrO3/c1-8-11(16)14(2,3)12(18-13(8)17)9-4-6-10(15)7-5-9/h4-8,12H,1-3H3/t8?,12-/m0/s1