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

Systemtic Name: 2-[[5-chloranyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]-3-phenylsulfanyl-cyclohexan-1-one Openeye Name: 2-(5-chloro-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)-3-phenylsulfanyl-cyclohexanone CAS Name: 2-[(5-chloro-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-6-yl)-oxomethyl]-3-(phenylthio)-1-cyclohexanone IUPAC Name: 2-(5-chloro-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)-3-phenylsulfanylcyclohexan-1-one Traditional Name: 2-(5-chloro-1,1-diketo-3,4-dihydro-2H-thiochromene-6-carbonyl)-3-(phenylthio)cyclohexanone Formula: C22H21ClO4S2 MolecularWeight: 448.98274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(=O)C1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3)Cl)SC4=CC=CC=C4

Isomeric SMILES

C1CC(C(C(=O)C1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3)Cl)SC4=CC=CC=C4

InChI

InChI=1S/C22H21ClO4S2/c23-21-15-8-5-13-29(26,27)19(15)12-11-16(21)22(25)20-17(24)9-4-10-18(20)28-14-6-2-1-3-7-14/h1-3,6-7,11-12,18,20H,4-5,8-10,13H2