(2S)-2-(4-bromanyl-2-tert-butyl-6-methyl-phenoxy)propanenitrile

Systemtic Name: (2S)-2-(4-bromanyl-2-tert-butyl-6-methyl-phenoxy)propanenitrile Openeye Name: (2S)-2-(4-bromo-2-tert-butyl-6-methyl-phenoxy)propanenitrile CAS Name: (2S)-2-(4-bromo-2-tert-butyl-6-methylphenoxy)propanenitrile IUPAC Name: (2S)-2-(4-bromo-2-tert-butyl-6-methylphenoxy)propanenitrile Traditional Name: (2S)-2-(4-bromo-2-tert-butyl-6-methyl-phenoxy)propionitrile Formula: C14H18BrNO MolecularWeight: 296.20282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C#N)C(C)(C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1O[C@@H](C)C#N)C(C)(C)C)Br

InChI

InChI=1S/C14H18BrNO/c1-9-6-11(15)7-12(14(3,4)5)13(9)17-10(2)8-16/h6-7,10H,1-5H3/t10-/m0/s1