5-(butylsulfanylmethylidene)-1,3-dioxane-4,6-dione

Systemtic Name: 5-(butylsulfanylmethylidene)-1,3-dioxane-4,6-dione Openeye Name: 5-(butylsulfanylmethylene)-1,3-dioxane-4,6-dione CAS Name: 5-[(butylthio)methylidene]-1,3-dioxane-4,6-dione IUPAC Name: 5-(butylsulfanylmethylidene)-1,3-dioxane-4,6-dione Traditional Name: 5-[(butylthio)methylene]-1,3-dioxane-4,6-quinone Formula: C9H12O4S MolecularWeight: 216.25418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC=C1C(=O)OCOC1=O

Isomeric SMILES

CCCCSC=C1C(=O)OCOC1=O

InChI

InChI=1S/C9H12O4S/c1-2-3-4-14-5-7-8(10)12-6-13-9(7)11/h5H,2-4,6H2,1H3