dimethyl (3R,4S)-3-ethanoyl-4-methyl-4-oxidanyl-cyclohexane-1,1-dicarboxylate

Systemtic Name: dimethyl (3R,4S)-3-ethanoyl-4-methyl-4-oxidanyl-cyclohexane-1,1-dicarboxylate Openeye Name: dimethyl (3R,4S)-3-acetyl-4-hydroxy-4-methyl-cyclohexane-1,1-dicarboxylate CAS Name: (3R,4S)-3-acetyl-4-hydroxy-4-methylcyclohexane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3R,4S)-3-acetyl-4-hydroxy-4-methylcyclohexane-1,1-dicarboxylate Traditional Name: (3R,4S)-3-acetyl-4-hydroxy-4-methyl-cyclohexane-1,1-dicarboxylic acid dimethyl ester Formula: C13H20O6 MolecularWeight: 272.2943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(CCC1(C)O)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)[C@@H]1CC(CC[C@]1(C)O)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C13H20O6/c1-8(14)9-7-13(10(15)18-3,11(16)19-4)6-5-12(9,2)17/h9,17H,5-7H2,1-4H3/t9-,12-/m0/s1