ethyl (4R,6S)-4,6-dimethyloct-2-ynoate

Systemtic Name: ethyl (4R,6S)-4,6-dimethyloct-2-ynoate Openeye Name: ethyl (4R,6S)-4,6-dimethyloct-2-ynoate CAS Name: (4R,6S)-4,6-dimethyl-2-octynoic acid ethyl ester IUPAC Name: ethyl (4R,6S)-4,6-dimethyloct-2-ynoate Traditional Name: (4R,6S)-4,6-dimethyloct-2-ynoic acid ethyl ester Formula: C12H20O2 MolecularWeight: 196.286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(C)C#CC(=O)OCC

Isomeric SMILES

CC[C@H](C)C[C@@H](C)C#CC(=O)OCC

InChI

InChI=1S/C12H20O2/c1-5-10(3)9-11(4)7-8-12(13)14-6-2/h10-11H,5-6,9H2,1-4H3/t10-,11-/m0/s1