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

Systemtic Name: 2,2-dimethyl-5-[methylsulfanyl(phenyl)methylidene]-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-[methylsulfanyl(phenyl)methylene]-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[(methylthio)-phenylmethylidene]-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-[methylsulfanyl(phenyl)methylidene]-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-[(methylthio)-phenyl-methylene]-1,3-dioxane-4,6-quinone Formula: C14H14O4S MolecularWeight: 278.32356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O4S/c1-14(2)17-12(15)10(13(16)18-14)11(19-3)9-7-5-4-6-8-9/h4-8H,1-3H3