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

Systemtic Name: (2S)-2-(4-bromanyl-2-tert-butyl-phenoxy)propanenitrile Openeye Name: (2S)-2-(4-bromo-2-tert-butyl-phenoxy)propanenitrile CAS Name: (2S)-2-(4-bromo-2-tert-butylphenoxy)propanenitrile IUPAC Name: (2S)-2-(4-bromo-2-tert-butylphenoxy)propanenitrile Traditional Name: (2S)-2-(4-bromo-2-tert-butyl-phenoxy)propionitrile Formula: C13H16BrNO MolecularWeight: 282.17624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC1=C(C=C(C=C1)Br)C(C)(C)C

Isomeric SMILES

C[C@@H](C#N)OC1=C(C=C(C=C1)Br)C(C)(C)C

InChI

InChI=1S/C13H16BrNO/c1-9(8-15)16-12-6-5-10(14)7-11(12)13(2,3)4/h5-7,9H,1-4H3/t9-/m0/s1