3-[(2S,4S,6S)-2-tert-butyl-6-hexyl-1,3-dioxan-4-yl]propanenitrile

Systemtic Name: 3-[(2S,4S,6S)-2-tert-butyl-6-hexyl-1,3-dioxan-4-yl]propanenitrile Openeye Name: 3-[(2S,4S,6S)-2-tert-butyl-6-hexyl-1,3-dioxan-4-yl]propanenitrile CAS Name: 3-[(2S,4S,6S)-2-tert-butyl-6-hexyl-1,3-dioxan-4-yl]propanenitrile IUPAC Name: 3-[(2S,4S,6S)-2-tert-butyl-6-hexyl-1,3-dioxan-4-yl]propanenitrile Traditional Name: 3-[(2S,4S,6S)-2-tert-butyl-6-hexyl-1,3-dioxan-4-yl]propionitrile Formula: C17H31NO2 MolecularWeight: 281.43354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(OC(O1)C(C)(C)C)CCC#N

Isomeric SMILES

CCCCCC[C@H]1C[C@@H](O[C@H](O1)C(C)(C)C)CCC#N

InChI

InChI=1S/C17H31NO2/c1-5-6-7-8-10-14-13-15(11-9-12-18)20-16(19-14)17(2,3)4/h14-16H,5-11,13H2,1-4H3/t14-,15-,16-/m0/s1