2-[(1R,2S)-1-(2-bromophenyl)-1-oxidanyl-propan-2-yl]-6-ethyl-3,5-dimethyl-pyran-4-one

Systemtic Name: 2-[(1R,2S)-1-(2-bromophenyl)-1-oxidanyl-propan-2-yl]-6-ethyl-3,5-dimethyl-pyran-4-one Openeye Name: 2-[(1S,2R)-2-(2-bromophenyl)-2-hydroxy-1-methyl-ethyl]-6-ethyl-3,5-dimethyl-pyran-4-one CAS Name: 2-[(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-6-ethyl-3,5-dimethyl-4-pyranone IUPAC Name: 2-[(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-6-ethyl-3,5-dimethylpyran-4-one Traditional Name: 2-[(1S,2R)-2-(2-bromophenyl)-2-hydroxy-1-methyl-ethyl]-6-ethyl-3,5-dimethyl-pyran-4-one Formula: C18H21BrO3 MolecularWeight: 365.26154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C(=C(O1)C(C)C(C2=CC=CC=C2Br)O)C)C

Isomeric SMILES

CCC1=C(C(=O)C(=C(O1)[C@@H](C)[C@H](C2=CC=CC=C2Br)O)C)C

InChI

InChI=1S/C18H21BrO3/c1-5-15-10(2)16(20)11(3)18(22-15)12(4)17(21)13-8-6-7-9-14(13)19/h6-9,12,17,21H,5H2,1-4H3/t12-,17+/m0/s1