2-methyl-2-[(1S,2S)-2-propanoylcyclohexyl]propanoate

Systemtic Name: 2-methyl-2-[(1S,2S)-2-propanoylcyclohexyl]propanoate Openeye Name: 2-methyl-2-[(1S,2S)-2-propanoylcyclohexyl]propanoate CAS Name: 2-methyl-2-[(1S,2S)-2-(1-oxopropyl)cyclohexyl]propanoate IUPAC Name: 2-methyl-2-[(1S,2S)-2-propanoylcyclohexyl]propanoate Traditional Name: 2-methyl-2-[(1S,2S)-2-propionylcyclohexyl]propionate Formula: C13H21O3- MolecularWeight: 225.30404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1CCCCC1C(C)(C)C(=O)[O-]

Isomeric SMILES

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

InChI

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