(2S,3S)-4,4-dimethyl-3-oxidanyl-2-(2,4,6-trimethylphenyl)pentanenitrile

Systemtic Name: (2S,3S)-4,4-dimethyl-3-oxidanyl-2-(2,4,6-trimethylphenyl)pentanenitrile Openeye Name: (2S,3S)-3-hydroxy-4,4-dimethyl-2-(2,4,6-trimethylphenyl)pentanenitrile CAS Name: (2S,3S)-3-hydroxy-4,4-dimethyl-2-(2,4,6-trimethylphenyl)pentanenitrile IUPAC Name: (2S,3S)-3-hydroxy-4,4-dimethyl-2-(2,4,6-trimethylphenyl)pentanenitrile Traditional Name: (2S,3S)-3-hydroxy-2-mesityl-4,4-dimethyl-valeronitrile Formula: C16H23NO MolecularWeight: 245.35992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO/c1-10-7-11(2)14(12(3)8-10)13(9-17)15(18)16(4,5)6/h7-8,13,15,18H,1-6H3/t13-,15+/m1/s1