(2S)-2-(4-bromanyl-2,3,5-trimethyl-phenoxy)propanenitrile

Systemtic Name: (2S)-2-(4-bromanyl-2,3,5-trimethyl-phenoxy)propanenitrile Openeye Name: (2S)-2-(4-bromo-2,3,5-trimethyl-phenoxy)propanenitrile CAS Name: (2S)-2-(4-bromo-2,3,5-trimethylphenoxy)propanenitrile IUPAC Name: (2S)-2-(4-bromo-2,3,5-trimethylphenoxy)propanenitrile Traditional Name: (2S)-2-(4-bromo-2,3,5-trimethyl-phenoxy)propionitrile Formula: C12H14BrNO MolecularWeight: 268.14966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Br)C)C)OC(C)C#N

Isomeric SMILES

CC1=CC(=C(C(=C1Br)C)C)O[C@@H](C)C#N

InChI

InChI=1S/C12H14BrNO/c1-7-5-11(15-8(2)6-14)9(3)10(4)12(7)13/h5,8H,1-4H3/t8-/m0/s1