5,5-dimethyl-2-(4-methylsulfanylphenyl)-1,3-dioxane

Systemtic Name: 5,5-dimethyl-2-(4-methylsulfanylphenyl)-1,3-dioxane Openeye Name: 5,5-dimethyl-2-(4-methylsulfanylphenyl)-1,3-dioxane CAS Name: 5,5-dimethyl-2-[4-(methylthio)phenyl]-1,3-dioxane IUPAC Name: 5,5-dimethyl-2-(4-methylsulfanylphenyl)-1,3-dioxane Traditional Name: 5,5-dimethyl-2-[4-(methylthio)phenyl]-1,3-dioxane Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C2=CC=C(C=C2)SC)C

Isomeric SMILES

CC1(COC(OC1)C2=CC=C(C=C2)SC)C

InChI

InChI=1S/C13H18O2S/c1-13(2)8-14-12(15-9-13)10-4-6-11(16-3)7-5-10/h4-7,12H,8-9H2,1-3H3