methyl (1S,2S)-2-(3-methoxy-3-oxidanylidene-propyl)-1-methyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1S,2S)-2-(3-methoxy-3-oxidanylidene-propyl)-1-methyl-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1S,2S)-2-(3-methoxy-3-oxo-propyl)-1-methyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,2S)-2-(3-methoxy-3-oxopropyl)-1-methyl-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S)-2-(3-methoxy-3-oxopropyl)-1-methylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,2S)-2-(3-keto-3-methoxy-propyl)-1-methyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC=CC1CCC(=O)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H20O4/c1-13(12(15)17-3)9-5-4-6-10(13)7-8-11(14)16-2/h4,6,10H,5,7-9H2,1-3H3/t10-,13+/m1/s1