diethyl (3R)-4,4-dimethyl-3-[(2R)-4-oxidanylidenebutan-2-yl]cyclohexane-1,1-dicarboxylate

Systemtic Name: diethyl (3R)-4,4-dimethyl-3-[(2R)-4-oxidanylidenebutan-2-yl]cyclohexane-1,1-dicarboxylate Openeye Name: diethyl (3R)-4,4-dimethyl-3-[(1R)-1-methyl-3-oxo-propyl]cyclohexane-1,1-dicarboxylate CAS Name: (3R)-4,4-dimethyl-3-[(2R)-4-oxobutan-2-yl]cyclohexane-1,1-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3R)-4,4-dimethyl-3-[(2R)-4-oxobutan-2-yl]cyclohexane-1,1-dicarboxylate Traditional Name: (3R)-3-[(1R)-3-keto-1-methyl-propyl]-4,4-dimethyl-cyclohexane-1,1-dicarboxylic acid diethyl ester Formula: C18H30O5 MolecularWeight: 326.4278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC(C(C1)C(C)CC=O)(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CCC([C@H](C1)[C@H](C)CC=O)(C)C)C(=O)OCC

InChI

InChI=1S/C18H30O5/c1-6-22-15(20)18(16(21)23-7-2)10-9-17(4,5)14(12-18)13(3)8-11-19/h11,13-14H,6-10,12H2,1-5H3/t13-,14-/m1/s1