diethyl (1S,2S,3S,4S)-2-(4-bromophenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate

Systemtic Name: diethyl (1S,2S,3S,4S)-2-(4-bromophenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: diethyl (1S,2S,3S,4S)-2-(4-bromophenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1S,2S,3S,4S)-2-(4-bromophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,2S,3S,4S)-2-(4-bromophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1S,2S,3S,4S)-2-(4-bromophenyl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid diethyl ester Formula: C19H23BrO6 MolecularWeight: 427.28632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)[C@H]1[C@H]([C@@H]([C@@](CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H23BrO6/c1-4-25-17(22)15-13(21)10-19(3,24)16(18(23)26-5-2)14(15)11-6-8-12(20)9-7-11/h6-9,14-16,24H,4-5,10H2,1-3H3/t14-,15-,16-,19+/m1/s1