2-[(5-chloranyl-3,4-dihydro-2H-thiochromen-6-yl)carbonyl]-3-methylsulfonyl-cyclohexan-1-one

Systemtic Name: 2-[(5-chloranyl-3,4-dihydro-2H-thiochromen-6-yl)carbonyl]-3-methylsulfonyl-cyclohexan-1-one Openeye Name: 2-(5-chlorothiochromane-6-carbonyl)-3-methylsulfonyl-cyclohexanone CAS Name: 2-[(5-chloro-3,4-dihydro-2H-1-benzothiopyran-6-yl)-oxomethyl]-3-methylsulfonyl-1-cyclohexanone IUPAC Name: 2-(5-chloro-3,4-dihydro-2H-thiochromene-6-carbonyl)-3-methylsulfonylcyclohexan-1-one Traditional Name: 2-(5-chlorothiochroman-6-carbonyl)-3-mesyl-cyclohexanone Formula: C17H19ClO4S2 MolecularWeight: 386.91336

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1CCCC(=O)C1C(=O)C2=C(C3=C(C=C2)SCCC3)Cl

Isomeric SMILES

CS(=O)(=O)C1CCCC(=O)C1C(=O)C2=C(C3=C(C=C2)SCCC3)Cl

InChI

InChI=1S/C17H19ClO4S2/c1-24(21,22)14-6-2-5-12(19)15(14)17(20)11-7-8-13-10(16(11)18)4-3-9-23-13/h7-8,14-15H,2-6,9H2,1H3