ethyl (3R)-3-[(1S)-2-chloranyl-1-methoxy-ethyl]-4-methyl-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: ethyl (3R)-3-[(1S)-2-chloranyl-1-methoxy-ethyl]-4-methyl-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl (3R)-3-[(1S)-2-chloro-1-methoxy-ethyl]-4-methyl-2-oxo-cyclohexanecarboxylate CAS Name: (3R)-3-[(1S)-2-chloro-1-methoxyethyl]-4-methyl-2-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(1S)-2-chloro-1-methoxyethyl]-4-methyl-2-oxocyclohexane-1-carboxylate Traditional Name: (3R)-3-[(1S)-2-chloro-1-methoxy-ethyl]-2-keto-4-methyl-cyclohexanecarboxylic acid ethyl ester Formula: C13H21ClO4 MolecularWeight: 276.75644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(C(C1=O)C(CCl)OC)C

Isomeric SMILES

CCOC(=O)C1CCC([C@@H](C1=O)[C@@H](CCl)OC)C

InChI

InChI=1S/C13H21ClO4/c1-4-18-13(16)9-6-5-8(2)11(12(9)15)10(7-14)17-3/h8-11H,4-7H2,1-3H3/t8?,9?,10-,11-/m1/s1