(2S,4S,5S)-4-hexyl-2,5-dimethyl-6-phenylsulfanyl-1,3-dioxane

Systemtic Name: (2S,4S,5S)-4-hexyl-2,5-dimethyl-6-phenylsulfanyl-1,3-dioxane Openeye Name: (2S,4S,5S)-4-hexyl-2,5-dimethyl-6-phenylsulfanyl-1,3-dioxane CAS Name: (2S,4S,5S)-4-hexyl-2,5-dimethyl-6-(phenylthio)-1,3-dioxane IUPAC Name: (2S,4S,5S)-4-hexyl-2,5-dimethyl-6-phenylsulfanyl-1,3-dioxane Traditional Name: (2S,4S,5S)-4-hexyl-2,5-dimethyl-6-(phenylthio)-1,3-dioxane Formula: C18H28O2S MolecularWeight: 308.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(C(OC(O1)C)SC2=CC=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C18H28O2S/c1-4-5-6-10-13-17-14(2)18(20-15(3)19-17)21-16-11-8-7-9-12-16/h7-9,11-12,14-15,17-18H,4-6,10,13H2,1-3H3/t14-,15-,17-,18?/m0/s1