5-(2,2-dimethyl-1-methylsulfanyl-propylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-(2,2-dimethyl-1-methylsulfanyl-propylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-(2,2-dimethyl-1-methylsulfanyl-propylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[2,2-dimethyl-1-(methylthio)propylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-(2,2-dimethyl-1-methylsulfanylpropylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[2,2-dimethyl-1-(methylthio)propylidene]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C12H18O4S MolecularWeight: 258.33392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=C(C(C)(C)C)SC)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=C(C(C)(C)C)SC)C(=O)O1)C

InChI

InChI=1S/C12H18O4S/c1-11(2,3)8(17-6)7-9(13)15-12(4,5)16-10(7)14/h1-6H3