4-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)furan-3-one

Systemtic Name: 4-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)furan-3-one Openeye Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)furan-3-one CAS Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)-3-furanone IUPAC Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)furan-3-one Traditional Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethyl-5-(4-mesylphenyl)-2-methyl-furan-3-one Formula: C21H18ClF3O4S MolecularWeight: 458.87843

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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)Cl)C(F)(F)F)C

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClF3O4S/c1-4-20(2)19(26)17(13-7-10-16(22)15(11-13)21(23,24)25)18(29-20)12-5-8-14(9-6-12)30(3,27)28/h5-11H,4H2,1-3H3