4-[(1S)-2,2-dimethyl-1-oxidanyl-3-oxidanylidene-propyl]benzenecarbonitrile

Systemtic Name: 4-[(1S)-2,2-dimethyl-1-oxidanyl-3-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 4-[(1S)-1-hydroxy-2,2-dimethyl-3-oxo-propyl]benzonitrile CAS Name: 4-[(1S)-1-hydroxy-2,2-dimethyl-3-oxopropyl]benzonitrile IUPAC Name: 4-[(1S)-1-hydroxy-2,2-dimethyl-3-oxopropyl]benzonitrile Traditional Name: 4-[(1S)-1-hydroxy-3-keto-2,2-dimethyl-propyl]benzonitrile Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=O)C(C1=CC=C(C=C1)C#N)O

Isomeric SMILES

CC(C)(C=O)[C@H](C1=CC=C(C=C1)C#N)O

InChI

InChI=1S/C12H13NO2/c1-12(2,8-14)11(15)10-5-3-9(7-13)4-6-10/h3-6,8,11,15H,1-2H3/t11-/m0/s1