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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(=O)C(C1=O)(C)C)C2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H]1[C@@H](OC(=O)C(C1=O)(C)C)C2=CC=C(C=C2)Br

InChI

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