4-(3-chloranyl-4-fluoranyl-phenyl)-2,2-diethyl-5-(4-methylsulfonylphenyl)furan-3-one

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)-2,2-diethyl-5-(4-methylsulfonylphenyl)furan-3-one Openeye Name: 4-(3-chloro-4-fluoro-phenyl)-2,2-diethyl-5-(4-methylsulfonylphenyl)furan-3-one CAS Name: 4-(3-chloro-4-fluorophenyl)-2,2-diethyl-5-(4-methylsulfonylphenyl)-3-furanone IUPAC Name: 4-(3-chloro-4-fluorophenyl)-2,2-diethyl-5-(4-methylsulfonylphenyl)furan-3-one Traditional Name: 4-(3-chloro-4-fluoro-phenyl)-2,2-diethyl-5-(4-mesylphenyl)furan-3-one Formula: C21H20ClFO4S MolecularWeight: 422.897503

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=C(C=C3)F)Cl)CC

Isomeric SMILES

CCC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=C(C=C3)F)Cl)CC

InChI

InChI=1S/C21H20ClFO4S/c1-4-21(5-2)20(24)18(14-8-11-17(23)16(22)12-14)19(27-21)13-6-9-15(10-7-13)28(3,25)26/h6-12H,4-5H2,1-3H3