diethyl (2S,6R)-3,3-dicyano-6-methyl-2-(2-oxidanylidenepropyl)cyclohexane-1,1-dicarboxylate

Systemtic Name: diethyl (2S,6R)-3,3-dicyano-6-methyl-2-(2-oxidanylidenepropyl)cyclohexane-1,1-dicarboxylate Openeye Name: diethyl (2S,6R)-2-acetonyl-3,3-dicyano-6-methyl-cyclohexane-1,1-dicarboxylate CAS Name: (2S,6R)-3,3-dicyano-6-methyl-2-(2-oxopropyl)cyclohexane-1,1-dicarboxylic acid diethyl ester IUPAC Name: diethyl (2S,6R)-3,3-dicyano-6-methyl-2-(2-oxopropyl)cyclohexane-1,1-dicarboxylate Traditional Name: (2S,6R)-2-acetonyl-3,3-dicyano-6-methyl-cyclohexane-1,1-dicarboxylic acid diethyl ester Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(CCC(C1CC(=O)C)(C#N)C#N)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1([C@@H](CCC([C@@H]1CC(=O)C)(C#N)C#N)C)C(=O)OCC

InChI

InChI=1S/C18H24N2O5/c1-5-24-15(22)18(16(23)25-6-2)12(3)7-8-17(10-19,11-20)14(18)9-13(4)21/h12,14H,5-9H2,1-4H3/t12-,14+/m1/s1