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

Systemtic Name: 5-[bis(phenylmethylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[bis(benzylsulfanyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[bis(phenylmethylthio)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[bis(benzylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[bis(benzylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C21H20O4S2 MolecularWeight: 400.5111

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=C(SCC2=CC=CC=C2)SCC3=CC=CC=C3)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=C(SCC2=CC=CC=C2)SCC3=CC=CC=C3)C(=O)O1)C

InChI

InChI=1S/C21H20O4S2/c1-21(2)24-18(22)17(19(23)25-21)20(26-13-15-9-5-3-6-10-15)27-14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3