5-[(4-bromophenyl)-methylsulfanyl-methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[(4-bromophenyl)-methylsulfanyl-methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(4-bromophenyl)-methylsulfanyl-methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[(4-bromophenyl)-(methylthio)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(4-bromophenyl)-methylsulfanylmethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[(4-bromophenyl)-(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C14H13BrO4S MolecularWeight: 357.21962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=C(C2=CC=C(C=C2)Br)SC)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=C(C2=CC=C(C=C2)Br)SC)C(=O)O1)C

InChI

InChI=1S/C14H13BrO4S/c1-14(2)18-12(16)10(13(17)19-14)11(20-3)8-4-6-9(15)7-5-8/h4-7H,1-3H3