2-tert-butyl-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]-1,3-dioxane-4,6-dione

Systemtic Name: 2-tert-butyl-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]-1,3-dioxane-4,6-dione Openeye Name: 2-tert-butyl-2-methyl-5-[(4-methylsulfanylphenyl)methylene]-1,3-dioxane-4,6-dione CAS Name: 2-tert-butyl-2-methyl-5-[[4-(methylthio)phenyl]methylidene]-1,3-dioxane-4,6-dione IUPAC Name: 2-tert-butyl-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]-1,3-dioxane-4,6-dione Traditional Name: 2-tert-butyl-2-methyl-5-[4-(methylthio)benzylidene]-1,3-dioxane-4,6-quinone Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CC2=CC=C(C=C2)SC)C(=O)O1)C(C)(C)C

Isomeric SMILES

CC1(OC(=O)C(=CC2=CC=C(C=C2)SC)C(=O)O1)C(C)(C)C

InChI

InChI=1S/C17H20O4S/c1-16(2,3)17(4)20-14(18)13(15(19)21-17)10-11-6-8-12(22-5)9-7-11/h6-10H,1-5H3