[(2S)-3-iodanyl-2-methyl-propyl] (3R)-3,7-dimethyloctanoate

Systemtic Name: [(2S)-3-iodanyl-2-methyl-propyl] (3R)-3,7-dimethyloctanoate Openeye Name: [(2S)-3-iodo-2-methyl-propyl] (3R)-3,7-dimethyloctanoate CAS Name: (3R)-3,7-dimethyloctanoic acid [(2S)-3-iodo-2-methylpropyl] ester IUPAC Name: [(2S)-3-iodo-2-methylpropyl] (3R)-3,7-dimethyloctanoate Traditional Name: (3R)-3,7-dimethylcaprylic acid [(2S)-3-iodo-2-methyl-propyl] ester Formula: C14H27IO2 MolecularWeight: 354.26745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CC(=O)OCC(C)CI

Isomeric SMILES

C[C@H](CCCC(C)C)CC(=O)OC[C@H](C)CI

InChI

InChI=1S/C14H27IO2/c1-11(2)6-5-7-12(3)8-14(16)17-10-13(4)9-15/h11-13H,5-10H2,1-4H3/t12-,13-/m1/s1