(2S)-2-oxidanyl-2-(phenylmethyl)pentanenitrile

Systemtic Name: (2S)-2-oxidanyl-2-(phenylmethyl)pentanenitrile Openeye Name: (2S)-2-benzyl-2-hydroxy-pentanenitrile CAS Name: (2S)-2-hydroxy-2-(phenylmethyl)pentanenitrile IUPAC Name: (2S)-2-benzyl-2-hydroxypentanenitrile Traditional Name: (2S)-2-benzyl-2-hydroxy-valeronitrile Formula: C12H15NO MolecularWeight: 189.2536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=CC=C1)(C#N)O

Isomeric SMILES

CCC[C@](CC1=CC=CC=C1)(C#N)O

InChI

InChI=1S/C12H15NO/c1-2-8-12(14,10-13)9-11-6-4-3-5-7-11/h3-7,14H,2,8-9H2,1H3/t12-/m0/s1