5-[(4-chlorophenyl)methylsulfanylmethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[(4-chlorophenyl)methylsulfanylmethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(4-chlorophenyl)methylsulfanylmethylene]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[[(4-chlorophenyl)methylthio]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(4-chlorophenyl)methylsulfanylmethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[[(4-chlorobenzyl)thio]methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C14H13ClO4S MolecularWeight: 312.76862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CSCC2=CC=C(C=C2)Cl)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=CSCC2=CC=C(C=C2)Cl)C(=O)O1)C

InChI

InChI=1S/C14H13ClO4S/c1-14(2)18-12(16)11(13(17)19-14)8-20-7-9-3-5-10(15)6-4-9/h3-6,8H,7H2,1-2H3