[(E,4S)-6-cyano-4-oxidanyl-hex-5-enyl] 2,2-dimethylpropanoate

Systemtic Name: [(E,4S)-6-cyano-4-oxidanyl-hex-5-enyl] 2,2-dimethylpropanoate Openeye Name: [(E,4S)-6-cyano-4-hydroxy-hex-5-enyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(E,4S)-6-cyano-4-hydroxyhex-5-enyl] ester IUPAC Name: [(E,4S)-6-cyano-4-hydroxyhex-5-enyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(E,4S)-6-cyano-4-hydroxy-hex-5-enyl] ester Formula: C12H19NO3 MolecularWeight: 225.28416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCCC(C=CC#N)O

Isomeric SMILES

CC(C)(C)C(=O)OCCC[C@@H](/C=C/C#N)O

InChI

InChI=1S/C12H19NO3/c1-12(2,3)11(15)16-9-5-7-10(14)6-4-8-13/h4,6,10,14H,5,7,9H2,1-3H3/b6-4+/t10-/m1/s1