methyl (1S,2R)-2-(2-oxidanylidenepropyl)cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R)-2-(2-oxidanylidenepropyl)cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R)-2-acetonylcyclohexanecarboxylate CAS Name: (1S,2R)-2-(2-oxopropyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R)-2-(2-oxopropyl)cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-acetonylcyclohexanecarboxylic acid methyl ester Formula: C11H18O3 MolecularWeight: 198.25882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1CCCCC1C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C11H18O3/c1-8(12)7-9-5-3-4-6-10(9)11(13)14-2/h9-10H,3-7H2,1-2H3/t9-,10+/m1/s1