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

Systemtic Name: diethyl (1S,2R,3R,4S)-2-(4-tert-butylphenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: diethyl (1S,2R,3R,4S)-2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1S,2R,3R,4S)-2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,2R,3R,4S)-2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1S,2R,3R,4S)-2-(4-tert-butylphenyl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid diethyl ester Formula: C23H32O6 MolecularWeight: 404.49658

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H32O6/c1-7-28-20(25)18-16(24)13-23(6,27)19(21(26)29-8-2)17(18)14-9-11-15(12-10-14)22(3,4)5/h9-12,17-19,27H,7-8,13H2,1-6H3/t17-,18+,19-,23-/m0/s1