4-[(R)-oxidanyl-[(3S)-4-oxidanylideneoxan-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[(R)-oxidanyl-[(3S)-4-oxidanylideneoxan-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(R)-hydroxy-[(3S)-4-oxotetrahydropyran-3-yl]methyl]benzonitrile CAS Name: 4-[(R)-hydroxy-[(3S)-4-oxo-3-oxanyl]methyl]benzonitrile IUPAC Name: 4-[(R)-hydroxy-[(3S)-4-oxooxan-3-yl]methyl]benzonitrile Traditional Name: 4-[(R)-hydroxy-[(3S)-4-ketotetrahydropyran-3-yl]methyl]benzonitrile Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC(C1=O)C(C2=CC=C(C=C2)C#N)O

Isomeric SMILES

C1COC[C@H](C1=O)[C@H](C2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C13H13NO3/c14-7-9-1-3-10(4-2-9)13(16)11-8-17-6-5-12(11)15/h1-4,11,13,16H,5-6,8H2/t11-,13+/m1/s1