2-[(1R,3S)-3-(carboxymethyl)-2,2-dimethyl-cyclohexyl]ethanoic acid

Systemtic Name: 2-[(1R,3S)-3-(carboxymethyl)-2,2-dimethyl-cyclohexyl]ethanoic acid Openeye Name: 2-[(1R,3S)-3-(carboxymethyl)-2,2-dimethyl-cyclohexyl]acetic acid CAS Name: 2-[(1R,3S)-3-(carboxymethyl)-2,2-dimethylcyclohexyl]acetic acid IUPAC Name: 2-[(1R,3S)-3-(carboxymethyl)-2,2-dimethylcyclohexyl]acetic acid Traditional Name: 2-[(1R,3S)-3-(carboxymethyl)-2,2-dimethyl-cyclohexyl]acetic acid Formula: C12H20O4 MolecularWeight: 228.2848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCCC1CC(=O)O)CC(=O)O)C

Isomeric SMILES

CC1([C@H](CCC[C@H]1CC(=O)O)CC(=O)O)C

InChI

InChI=1S/C12H20O4/c1-12(2)8(6-10(13)14)4-3-5-9(12)7-11(15)16/h8-9H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t8-,9+