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

Systemtic Name: 4-(3-chloranyl-5-fluoranyl-phenyl)-2,2-diethyl-5-(4-methylsulfonylphenyl)furan-3-one Openeye Name: 4-(3-chloro-5-fluoro-phenyl)-2,2-diethyl-5-(4-methylsulfonylphenyl)furan-3-one CAS Name: 4-(3-chloro-5-fluorophenyl)-2,2-diethyl-5-(4-methylsulfonylphenyl)-3-furanone IUPAC Name: 4-(3-chloro-5-fluorophenyl)-2,2-diethyl-5-(4-methylsulfonylphenyl)furan-3-one Traditional Name: 4-(3-chloro-5-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(=CC(=C3)Cl)F)CC

Isomeric SMILES

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

InChI

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