methyl (3R,4R)-3-chloranyl-4-oxidanyl-dodecanoate

Systemtic Name: methyl (3R,4R)-3-chloranyl-4-oxidanyl-dodecanoate Openeye Name: methyl (3R,4R)-3-chloro-4-hydroxy-dodecanoate CAS Name: (3R,4R)-3-chloro-4-hydroxydodecanoic acid methyl ester IUPAC Name: methyl (3R,4R)-3-chloro-4-hydroxydodecanoate Traditional Name: (3R,4R)-3-chloro-4-hydroxy-lauric acid methyl ester Formula: C13H25ClO3 MolecularWeight: 264.7888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CC(=O)OC)Cl)O

Isomeric SMILES

CCCCCCCC[C@H]([C@@H](CC(=O)OC)Cl)O

InChI

InChI=1S/C13H25ClO3/c1-3-4-5-6-7-8-9-12(15)11(14)10-13(16)17-2/h11-12,15H,3-10H2,1-2H3/t11-,12-/m1/s1