2-methyl-2-[(1S,2S)-2-propanoylcyclohexyl]propanoic acid

Systemtic Name: 2-methyl-2-[(1S,2S)-2-propanoylcyclohexyl]propanoic acid Openeye Name: 2-methyl-2-[(1S,2S)-2-propanoylcyclohexyl]propanoic acid CAS Name: 2-methyl-2-[(1S,2S)-2-(1-oxopropyl)cyclohexyl]propanoic acid IUPAC Name: 2-methyl-2-[(1S,2S)-2-propanoylcyclohexyl]propanoic acid Traditional Name: 2-methyl-2-[(1S,2S)-2-propionylcyclohexyl]propionic acid Formula: C13H22O3 MolecularWeight: 226.31198

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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)/t9-,10-/m0/s1