methyl 3-[(1S)-1-ethyl-4-oxidanyl-2-oxidanylidene-cyclohexyl]propanoate

Systemtic Name: methyl 3-[(1S)-1-ethyl-4-oxidanyl-2-oxidanylidene-cyclohexyl]propanoate Openeye Name: methyl 3-[(1S)-1-ethyl-4-hydroxy-2-oxo-cyclohexyl]propanoate CAS Name: 3-[(1S)-1-ethyl-4-hydroxy-2-oxocyclohexyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(1S)-1-ethyl-4-hydroxy-2-oxocyclohexyl]propanoate Traditional Name: 3-[(1S)-1-ethyl-4-hydroxy-2-keto-cyclohexyl]propionic acid methyl ester Formula: C12H20O4 MolecularWeight: 228.2848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(CC1=O)O)CCC(=O)OC

Isomeric SMILES

CC[C@]1(CCC(CC1=O)O)CCC(=O)OC

InChI

InChI=1S/C12H20O4/c1-3-12(7-5-11(15)16-2)6-4-9(13)8-10(12)14/h9,13H,3-8H2,1-2H3/t9?,12-/m0/s1