(4S,6S)-4-butyl-6-hexyl-2,2-dimethyl-1,3-dioxane-4-carbonitrile

Systemtic Name: (4S,6S)-4-butyl-6-hexyl-2,2-dimethyl-1,3-dioxane-4-carbonitrile Openeye Name: (4S,6S)-4-butyl-6-hexyl-2,2-dimethyl-1,3-dioxane-4-carbonitrile CAS Name: (4S,6S)-4-butyl-6-hexyl-2,2-dimethyl-1,3-dioxane-4-carbonitrile IUPAC Name: (4S,6S)-4-butyl-6-hexyl-2,2-dimethyl-1,3-dioxane-4-carbonitrile Traditional Name: (4S,6S)-4-butyl-6-hexyl-2,2-dimethyl-1,3-dioxane-4-carbonitrile Formula: C17H31NO2 MolecularWeight: 281.43354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC[C@H]1C[C@@](OC(O1)(C)C)(CCCC)C#N

InChI

InChI=1S/C17H31NO2/c1-5-7-9-10-11-15-13-17(14-18,12-8-6-2)20-16(3,4)19-15/h15H,5-13H2,1-4H3/t15-,17-/m0/s1