methyl (1S,2R)-2-[(2S)-3-oxidanylidenepentan-2-yl]cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R)-2-[(2S)-3-oxidanylidenepentan-2-yl]cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R)-2-[(1S)-1-methyl-2-oxo-butyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[(2S)-3-oxopentan-2-yl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R)-2-[(2S)-3-oxopentan-2-yl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[(1S)-2-keto-1-methyl-butyl]cyclohexanecarboxylic acid methyl ester Formula: C13H22O3 MolecularWeight: 226.31198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)C1CCCCC1C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H22O3/c1-4-12(14)9(2)10-7-5-6-8-11(10)13(15)16-3/h9-11H,4-8H2,1-3H3/t9-,10+,11-/m0/s1