tert-butyl 6-cyano-5-oxidanyl-3-oxidanylidene-hexanoate

Systemtic Name: tert-butyl 6-cyano-5-oxidanyl-3-oxidanylidene-hexanoate Openeye Name: tert-butyl 6-cyano-5-hydroxy-3-oxo-hexanoate CAS Name: 6-cyano-5-hydroxy-3-oxohexanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-cyano-5-hydroxy-3-oxohexanoate Traditional Name: 6-cyano-5-hydroxy-3-keto-hexanoic acid tert-butyl ester Formula: C11H17NO4 MolecularWeight: 227.25698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)7-9(14)6-8(13)4-5-12/h8,13H,4,6-7H2,1-3H3