2,2-dimethyl-5-(1-methylsulfanyl-4-phenyl-butylidene)-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-(1-methylsulfanyl-4-phenyl-butylidene)-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-(1-methylsulfanyl-4-phenyl-butylidene)-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[1-(methylthio)-4-phenylbutylidene]-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-(1-methylsulfanyl-4-phenylbutylidene)-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-[1-(methylthio)-4-phenyl-butylidene]-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(=C(CCCC2=CC=CC=C2)SC)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=C(CCCC2=CC=CC=C2)SC)C(=O)O1)C

InChI

InChI=1S/C17H20O4S/c1-17(2)20-15(18)14(16(19)21-17)13(22-3)11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3