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

Systemtic Name: (4S,6S)-4-(4-chloranylbutyl)-6-hexyl-2,2-dimethyl-1,3-dioxane-4-carbonitrile Openeye Name: (4S,6S)-4-(4-chlorobutyl)-6-hexyl-2,2-dimethyl-1,3-dioxane-4-carbonitrile CAS Name: (4S,6S)-4-(4-chlorobutyl)-6-hexyl-2,2-dimethyl-1,3-dioxane-4-carbonitrile IUPAC Name: (4S,6S)-4-(4-chlorobutyl)-6-hexyl-2,2-dimethyl-1,3-dioxane-4-carbonitrile Traditional Name: (4S,6S)-4-(4-chlorobutyl)-6-hexyl-2,2-dimethyl-1,3-dioxane-4-carbonitrile Formula: C17H30ClNO2 MolecularWeight: 315.8786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30ClNO2/c1-4-5-6-7-10-15-13-17(14-19,11-8-9-12-18)21-16(2,3)20-15/h15H,4-13H2,1-3H3/t15-,17-/m0/s1