5-[1-(4-chlorophenyl)sulfanylpropyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[1-(4-chlorophenyl)sulfanylpropyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[1-(4-chlorophenyl)sulfanylpropyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[1-[(4-chlorophenyl)thio]propyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[1-(4-chlorophenyl)sulfanylpropyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[1-[(4-chlorophenyl)thio]propyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C15H17ClO4S MolecularWeight: 328.81108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C(=O)OC(OC1=O)(C)C)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(C1C(=O)OC(OC1=O)(C)C)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H17ClO4S/c1-4-11(21-10-7-5-9(16)6-8-10)12-13(17)19-15(2,3)20-14(12)18/h5-8,11-12H,4H2,1-3H3