4-(2,4-dichlorophenyl)carbonyl-2-methyl-thiane-3,5-dione

Systemtic Name: 4-(2,4-dichlorophenyl)carbonyl-2-methyl-thiane-3,5-dione Openeye Name: 4-(2,4-dichlorobenzoyl)-2-methyl-tetrahydrothiopyran-3,5-dione CAS Name: 4-[(2,4-dichlorophenyl)-oxomethyl]-2-methylthiane-3,5-dione IUPAC Name: 4-(2,4-dichlorobenzoyl)-2-methylthiane-3,5-dione Traditional Name: 4-(2,4-dichlorobenzoyl)-2-methyl-tetrahydrothiopyran-3,5-quinone Formula: C13H10Cl2O3S MolecularWeight: 317.1877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(C(=O)CS1)C(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC1C(=O)C(C(=O)CS1)C(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H10Cl2O3S/c1-6-12(17)11(10(16)5-19-6)13(18)8-3-2-7(14)4-9(8)15/h2-4,6,11H,5H2,1H3