2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonylthian-3-one

Systemtic Name: 2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonylthian-3-one Openeye Name: 2-(2-chloro-4-methylsulfonyl-benzoyl)tetrahydrothiopyran-3-one CAS Name: 2-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]-3-thianone IUPAC Name: 2-(2-chloro-4-methylsulfonylbenzoyl)thian-3-one Traditional Name: 2-(2-chloro-4-mesyl-benzoyl)tetrahydrothiopyran-3-one Formula: C13H13ClO4S2 MolecularWeight: 332.82292

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCS2)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCS2)Cl

InChI

InChI=1S/C13H13ClO4S2/c1-20(17,18)8-4-5-9(10(14)7-8)12(16)13-11(15)3-2-6-19-13/h4-5,7,13H,2-3,6H2,1H3