(2S)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanenitrile

Systemtic Name: (2S)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanenitrile Openeye Name: (2S)-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propanenitrile CAS Name: (2S)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanenitrile IUPAC Name: (2S)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanenitrile Traditional Name: (2S)-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propionitrile Formula: C17H25NO MolecularWeight: 259.3865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO/c1-13(11-18)19-15-9-7-14(8-10-15)17(5,6)12-16(2,3)4/h7-10,13H,12H2,1-6H3/t13-/m0/s1