[(4S,5R)-4-acetyloxy-6-cyano-5-methyl-hexyl] ethanoate

Systemtic Name: [(4S,5R)-4-acetyloxy-6-cyano-5-methyl-hexyl] ethanoate Openeye Name: [(4S,5R)-4-acetoxy-6-cyano-5-methyl-hexyl] acetate CAS Name: acetic acid [(4S,5R)-4-acetyloxy-6-cyano-5-methylhexyl] ester IUPAC Name: [(4S,5R)-4-acetyloxy-6-cyano-5-methylhexyl] acetate Traditional Name: acetic acid [(4S,5R)-4-acetoxy-6-cyano-5-methyl-hexyl] ester Formula: C12H19NO4 MolecularWeight: 241.28356

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)C(CCCOC(=O)C)OC(=O)C

Isomeric SMILES

C[C@H](CC#N)[C@H](CCCOC(=O)C)OC(=O)C

InChI

InChI=1S/C12H19NO4/c1-9(6-7-13)12(17-11(3)15)5-4-8-16-10(2)14/h9,12H,4-6,8H2,1-3H3/t9-,12+/m1/s1