(2S,4S,6R)-4-hexyl-2-methyl-6-phenylsulfanyl-1,3-dioxane

Systemtic Name: (2S,4S,6R)-4-hexyl-2-methyl-6-phenylsulfanyl-1,3-dioxane Openeye Name: (2S,4S,6R)-4-hexyl-2-methyl-6-phenylsulfanyl-1,3-dioxane CAS Name: (2S,4S,6R)-4-hexyl-2-methyl-6-(phenylthio)-1,3-dioxane IUPAC Name: (2S,4S,6R)-4-hexyl-2-methyl-6-phenylsulfanyl-1,3-dioxane Traditional Name: (2S,4S,6R)-4-hexyl-2-methyl-6-(phenylthio)-1,3-dioxane Formula: C17H26O2S MolecularWeight: 294.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(OC(O1)C)SC2=CC=CC=C2

Isomeric SMILES

CCCCCC[C@H]1C[C@H](O[C@H](O1)C)SC2=CC=CC=C2

InChI

InChI=1S/C17H26O2S/c1-3-4-5-7-10-15-13-17(19-14(2)18-15)20-16-11-8-6-9-12-16/h6,8-9,11-12,14-15,17H,3-5,7,10,13H2,1-2H3/t14-,15-,17+/m0/s1