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

Systemtic Name: 2,2-dimethyl-5-[(phenylmethylsulfanyl)methylidene]-1,3-dioxane-4,6-dione Openeye Name: 5-(benzylsulfanylmethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[(phenylmethylthio)methylidene]-1,3-dioxane-4,6-dione IUPAC Name: 5-(benzylsulfanylmethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[(benzylthio)methylene]-2,2-dimethyl-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(=CSCC2=CC=CC=C2)C(=O)O1)C

Isomeric SMILES

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

InChI

InChI=1S/C14H14O4S/c1-14(2)17-12(15)11(13(16)18-14)9-19-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3