(2S,4S,6S)-2-tert-butyl-4-hexyl-6-(3-phenylsulfanylpropyl)-1,3-dioxane

Systemtic Name: (2S,4S,6S)-2-tert-butyl-4-hexyl-6-(3-phenylsulfanylpropyl)-1,3-dioxane Openeye Name: (2S,4S,6S)-2-tert-butyl-4-hexyl-6-(3-phenylsulfanylpropyl)-1,3-dioxane CAS Name: (2S,4S,6S)-2-tert-butyl-4-hexyl-6-[3-(phenylthio)propyl]-1,3-dioxane IUPAC Name: (2S,4S,6S)-2-tert-butyl-4-hexyl-6-(3-phenylsulfanylpropyl)-1,3-dioxane Traditional Name: (2S,4S,6S)-2-tert-butyl-4-hexyl-6-[3-(phenylthio)propyl]-1,3-dioxane Formula: C23H38O2S MolecularWeight: 378.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(OC(O1)C(C)(C)C)CCCSC2=CC=CC=C2

Isomeric SMILES

CCCCCC[C@H]1C[C@@H](O[C@H](O1)C(C)(C)C)CCCSC2=CC=CC=C2

InChI

InChI=1S/C23H38O2S/c1-5-6-7-9-13-19-18-20(25-22(24-19)23(2,3)4)14-12-17-26-21-15-10-8-11-16-21/h8,10-11,15-16,19-20,22H,5-7,9,12-14,17-18H2,1-4H3/t19-,20-,22-/m0/s1