sodium 2-[(3R,5S)-1-(hydroxymethyl)-3,5-dimethyl-cyclohexyl]ethanoate

Systemtic Name: sodium 2-[(3R,5S)-1-(hydroxymethyl)-3,5-dimethyl-cyclohexyl]ethanoate Openeye Name: sodium 2-[(3R,5S)-1-(hydroxymethyl)-3,5-dimethyl-cyclohexyl]acetate CAS Name: sodium 2-[(3R,5S)-1-(hydroxymethyl)-3,5-dimethylcyclohexyl]acetate IUPAC Name: sodium 2-[(3R,5S)-1-(hydroxymethyl)-3,5-dimethylcyclohexyl]acetate Traditional Name: sodium 2-[(3R,5S)-3,5-dimethyl-1-methylol-cyclohexyl]acetate Formula: C11H19NaO3 MolecularWeight: 222.25653

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(CC(=O)[O-])CO)C.[Na+]

Isomeric SMILES

C[C@@H]1C[C@@H](CC(C1)(CC(=O)[O-])CO)C.[Na+]

InChI

InChI=1S/C11H20O3.Na/c1-8-3-9(2)5-11(4-8,7-12)6-10(13)14;/h8-9,12H,3-7H2,1-2H3,(H,13,14);/q;+1/p-1/t8-,9+,11?;