ethyl (3S,4S)-4-acetyloxy-3-chloranyl-octanoate

Systemtic Name: ethyl (3S,4S)-4-acetyloxy-3-chloranyl-octanoate Openeye Name: ethyl (3S,4S)-4-acetoxy-3-chloro-octanoate CAS Name: (3S,4S)-4-acetyloxy-3-chlorooctanoic acid ethyl ester IUPAC Name: ethyl (3S,4S)-4-acetyloxy-3-chlorooctanoate Traditional Name: (3S,4S)-4-acetoxy-3-chloro-caprylic acid ethyl ester Formula: C12H21ClO4 MolecularWeight: 264.74574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC(=O)OCC)Cl)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C12H21ClO4/c1-4-6-7-11(17-9(3)14)10(13)8-12(15)16-5-2/h10-11H,4-8H2,1-3H3/t10-,11-/m0/s1