methyl 2-[(1R,2S)-2-(methoxymethyl)-5-oxidanylidene-cyclohex-3-en-1-yl]-2-methyl-propanoate

Systemtic Name: methyl 2-[(1R,2S)-2-(methoxymethyl)-5-oxidanylidene-cyclohex-3-en-1-yl]-2-methyl-propanoate Openeye Name: methyl 2-[(1R,2S)-2-(methoxymethyl)-5-oxo-cyclohex-3-en-1-yl]-2-methyl-propanoate CAS Name: 2-[(1R,2S)-2-(methoxymethyl)-5-oxo-1-cyclohex-3-enyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[(1R,2S)-2-(methoxymethyl)-5-oxocyclohex-3-en-1-yl]-2-methylpropanoate Traditional Name: 2-[(1R,2S)-5-keto-2-(methoxymethyl)cyclohex-3-en-1-yl]-2-methyl-propionic acid methyl ester Formula: C13H20O4 MolecularWeight: 240.2955

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CC(=O)C=CC1COC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H20O4/c1-13(2,12(15)17-4)11-7-10(14)6-5-9(11)8-16-3/h5-6,9,11H,7-8H2,1-4H3/t9-,11-/m1/s1