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

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

CCCCC1(OC(=O)C(=CC2=CC=C(C=C2)SC)C(=O)O1)C

Isomeric SMILES

CCCCC1(OC(=O)C(=CC2=CC=C(C=C2)SC)C(=O)O1)C

InChI

InChI=1S/C17H20O4S/c1-4-5-10-17(2)20-15(18)14(16(19)21-17)11-12-6-8-13(22-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3