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

Systemtic Name: diethyl (1S,2R,3R,4S)-2-(4-ethylphenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: diethyl (1S,2R,3R,4S)-2-(4-ethylphenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1S,2R,3R,4S)-2-(4-ethylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,2R,3R,4S)-2-(4-ethylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1S,2R,3R,4S)-2-(4-ethylphenyl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid diethyl ester Formula: C21H28O6 MolecularWeight: 376.44342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)OCC)(C)O)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2[C@@H](C(=O)C[C@]([C@@H]2C(=O)OCC)(C)O)C(=O)OCC

InChI

InChI=1S/C21H28O6/c1-5-13-8-10-14(11-9-13)16-17(19(23)26-6-2)15(22)12-21(4,25)18(16)20(24)27-7-3/h8-11,16-18,25H,5-7,12H2,1-4H3/t16-,17+,18-,21-/m0/s1