methyl (1R,2R,6S)-1,3,3-trimethyl-6-oxidanyl-4-oxidanylidene-2-(2-oxidanylideneethyl)cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2R,6S)-1,3,3-trimethyl-6-oxidanyl-4-oxidanylidene-2-(2-oxidanylideneethyl)cyclohexane-1-carboxylate Openeye Name: methyl (1R,2R,6S)-6-hydroxy-1,3,3-trimethyl-4-oxo-2-(2-oxoethyl)cyclohexanecarboxylate CAS Name: (1R,2R,6S)-6-hydroxy-1,3,3-trimethyl-4-oxo-2-(2-oxoethyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2R,6S)-6-hydroxy-1,3,3-trimethyl-4-oxo-2-(2-oxoethyl)cyclohexane-1-carboxylate Traditional Name: (1R,2R,6S)-6-hydroxy-4-keto-2-(2-ketoethyl)-1,3,3-trimethyl-cyclohexanecarboxylic acid methyl ester Formula: C13H20O5 MolecularWeight: 256.2949

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(CC1=O)O)(C)C(=O)OC)CC=O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H20O5/c1-12(2)8(5-6-14)13(3,11(17)18-4)10(16)7-9(12)15/h6,8,10,16H,5,7H2,1-4H3/t8-,10+,13-/m1/s1