(2R,3R,4R,5R)-3-(2-bromophenyl)-2,4-diethanoyl-5-oxidanyl-5-phenyl-cyclohexan-1-one

Systemtic Name: (2R,3R,4R,5R)-3-(2-bromophenyl)-2,4-diethanoyl-5-oxidanyl-5-phenyl-cyclohexan-1-one Openeye Name: (2R,3R,4R,5R)-2,4-diacetyl-3-(2-bromophenyl)-5-hydroxy-5-phenyl-cyclohexanone CAS Name: (2R,3R,4R,5R)-2,4-diacetyl-3-(2-bromophenyl)-5-hydroxy-5-phenyl-1-cyclohexanone IUPAC Name: (2R,3R,4R,5R)-2,4-diacetyl-3-(2-bromophenyl)-5-hydroxy-5-phenylcyclohexan-1-one Traditional Name: (2R,3R,4R,5R)-2,4-diacetyl-3-(2-bromophenyl)-5-hydroxy-5-phenyl-cyclohexanone Formula: C22H21BrO4 MolecularWeight: 429.30374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(C(C(CC1=O)(C2=CC=CC=C2)O)C(=O)C)C3=CC=CC=C3Br

Isomeric SMILES

CC(=O)[C@H]1[C@@H]([C@H]([C@](CC1=O)(C2=CC=CC=C2)O)C(=O)C)C3=CC=CC=C3Br

InChI

InChI=1S/C22H21BrO4/c1-13(24)19-18(26)12-22(27,15-8-4-3-5-9-15)21(14(2)25)20(19)16-10-6-7-11-17(16)23/h3-11,19-21,27H,12H2,1-2H3/t19-,20+,21-,22+/m1/s1