(1S,3S)-5-tert-butylcyclohexane-1,3-dicarboxylate

Systemtic Name: (1S,3S)-5-tert-butylcyclohexane-1,3-dicarboxylate Openeye Name: (1S,3S)-5-tert-butylcyclohexane-1,3-dicarboxylate CAS Name: (1S,3S)-5-tert-butylcyclohexane-1,3-dicarboxylate IUPAC Name: (1S,3S)-5-tert-butylcyclohexane-1,3-dicarboxylate Traditional Name: (1S,3S)-5-tert-butylcyclohexane-1,3-dicarboxylate Formula: C12H18O4-2 MolecularWeight: 226.26892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(CC(C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1C[C@@H](C[C@H](C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H20O4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h7-9H,4-6H2,1-3H3,(H,13,14)(H,15,16)/p-2/t7-,8-/m1/s1