diethyl (1R,2S,3S)-2-(4-bromophenyl)-4-methyl-6-oxidanylidene-cyclohex-4-ene-1,3-dicarboxylate

Systemtic Name: diethyl (1R,2S,3S)-2-(4-bromophenyl)-4-methyl-6-oxidanylidene-cyclohex-4-ene-1,3-dicarboxylate Openeye Name: diethyl (1R,2S,3S)-2-(4-bromophenyl)-4-methyl-6-oxo-cyclohex-4-ene-1,3-dicarboxylate CAS Name: (1R,2S,3S)-2-(4-bromophenyl)-4-methyl-6-oxocyclohex-4-ene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1R,2S,3S)-2-(4-bromophenyl)-4-methyl-6-oxocyclohex-4-ene-1,3-dicarboxylate Traditional Name: (1R,2S,3S)-2-(4-bromophenyl)-6-keto-4-methyl-cyclohex-4-ene-1,3-dicarboxylic acid diethyl ester Formula: C19H21BrO5 MolecularWeight: 409.27104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H]([C@H](C(=O)C=C1C)C(=O)OCC)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H21BrO5/c1-4-24-18(22)15-11(3)10-14(21)17(19(23)25-5-2)16(15)12-6-8-13(20)9-7-12/h6-10,15-17H,4-5H2,1-3H3/t15-,16+,17+/m1/s1