[(2R,6S)-6-acetyloxy-7-chloranyl-heptan-2-yl] ethanoate

Systemtic Name: [(2R,6S)-6-acetyloxy-7-chloranyl-heptan-2-yl] ethanoate Openeye Name: [(1R,5S)-5-acetoxy-6-chloro-1-methyl-hexyl] acetate CAS Name: acetic acid [(2R,6S)-6-acetyloxy-7-chloroheptan-2-yl] ester IUPAC Name: [(2R,6S)-6-acetyloxy-7-chloroheptan-2-yl] acetate Traditional Name: acetic acid [(1R,5S)-5-acetoxy-6-chloro-1-methyl-hexyl] ester Formula: C11H19ClO4 MolecularWeight: 250.71916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(CCl)OC(=O)C)OC(=O)C

Isomeric SMILES

C[C@H](CCC[C@@H](CCl)OC(=O)C)OC(=O)C

InChI

InChI=1S/C11H19ClO4/c1-8(15-9(2)13)5-4-6-11(7-12)16-10(3)14/h8,11H,4-7H2,1-3H3/t8-,11+/m1/s1