ethyl (1S,4R,6R)-4-methyl-4-oxidanyl-2-oxidanylidene-6-phenyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl (1S,4R,6R)-4-methyl-4-oxidanyl-2-oxidanylidene-6-phenyl-cyclohexane-1-carboxylate Openeye Name: ethyl (1S,4R,6R)-4-hydroxy-4-methyl-2-oxo-6-phenyl-cyclohexanecarboxylate CAS Name: (1S,4R,6R)-4-hydroxy-4-methyl-2-oxo-6-phenyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,4R,6R)-4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexane-1-carboxylate Traditional Name: (1S,4R,6R)-4-hydroxy-2-keto-4-methyl-6-phenyl-cyclohexanecarboxylic acid ethyl ester Formula: C16H20O4 MolecularWeight: 276.3276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(CC1=O)(C)O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](C[C@@](CC1=O)(C)O)C2=CC=CC=C2

InChI

InChI=1S/C16H20O4/c1-3-20-15(18)14-12(11-7-5-4-6-8-11)9-16(2,19)10-13(14)17/h4-8,12,14,19H,3,9-10H2,1-2H3/t12-,14-,16+/m0/s1