2,2-dimethyl-5-[2-(2-methylsulfanylphenyl)propan-2-yl]-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-[2-(2-methylsulfanylphenyl)propan-2-yl]-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-[1-methyl-1-(2-methylsulfanylphenyl)ethyl]-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[2-[2-(methylthio)phenyl]propan-2-yl]-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-[2-(2-methylsulfanylphenyl)propan-2-yl]-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-[1-methyl-1-[2-(methylthio)phenyl]ethyl]-1,3-dioxane-4,6-quinone Formula: C16H20O4S MolecularWeight: 308.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)C(C)(C)C2=CC=CC=C2SC)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)C(C)(C)C2=CC=CC=C2SC)C

InChI

InChI=1S/C16H20O4S/c1-15(2,10-8-6-7-9-11(10)21-5)12-13(17)19-16(3,4)20-14(12)18/h6-9,12H,1-5H3