5-[(3-ethyl-4-oxidanyl-phenyl)sulfanylmethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[(3-ethyl-4-oxidanyl-phenyl)sulfanylmethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(3-ethyl-4-hydroxy-phenyl)sulfanylmethylene]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[[(3-ethyl-4-hydroxyphenyl)thio]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(3-ethyl-4-hydroxyphenyl)sulfanylmethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[[(3-ethyl-4-hydroxy-phenyl)thio]methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C15H16O5S MolecularWeight: 308.34954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)SC=C2C(=O)OC(OC2=O)(C)C)O

Isomeric SMILES

CCC1=C(C=CC(=C1)SC=C2C(=O)OC(OC2=O)(C)C)O

InChI

InChI=1S/C15H16O5S/c1-4-9-7-10(5-6-12(9)16)21-8-11-13(17)19-15(2,3)20-14(11)18/h5-8,16H,4H2,1-3H3