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

Systemtic Name: 2-(2-chloranyl-3-methyl-4-methylsulfonyl-phenyl)carbonylthian-3-one Openeye Name: 2-(2-chloro-3-methyl-4-methylsulfonyl-benzoyl)tetrahydrothiopyran-3-one CAS Name: 2-[(2-chloro-3-methyl-4-methylsulfonylphenyl)-oxomethyl]-3-thianone IUPAC Name: 2-(2-chloro-3-methyl-4-methylsulfonylbenzoyl)thian-3-one Traditional Name: 2-(2-chloro-4-mesyl-3-methyl-benzoyl)tetrahydrothiopyran-3-one Formula: C14H15ClO4S2 MolecularWeight: 346.8495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Cl)C(=O)C2C(=O)CCCS2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1Cl)C(=O)C2C(=O)CCCS2)S(=O)(=O)C

InChI

InChI=1S/C14H15ClO4S2/c1-8-11(21(2,18)19)6-5-9(12(8)15)13(17)14-10(16)4-3-7-20-14/h5-6,14H,3-4,7H2,1-2H3