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

Systemtic Name: (4S,6S)-6-hexyl-2,2-dimethyl-4-(2-oxidanylhexyl)-1,3-dioxane-4-carbonitrile Openeye Name: (4S,6S)-6-hexyl-4-(2-hydroxyhexyl)-2,2-dimethyl-1,3-dioxane-4-carbonitrile CAS Name: (4S,6S)-6-hexyl-4-(2-hydroxyhexyl)-2,2-dimethyl-1,3-dioxane-4-carbonitrile IUPAC Name: (4S,6S)-6-hexyl-4-(2-hydroxyhexyl)-2,2-dimethyl-1,3-dioxane-4-carbonitrile Traditional Name: (4S,6S)-6-hexyl-4-(2-hydroxyhexyl)-2,2-dimethyl-1,3-dioxane-4-carbonitrile Formula: C19H35NO3 MolecularWeight: 325.4861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H35NO3/c1-5-7-9-10-12-17-14-19(15-20,23-18(3,4)22-17)13-16(21)11-8-6-2/h16-17,21H,5-14H2,1-4H3/t16?,17-,19-/m0/s1