2-[3-(3-fluorophenyl)-5,5-dimethyl-2-(4-methylsulfonylphenyl)furan-2-yl]oxyethanoate

Systemtic Name: 2-[3-(3-fluorophenyl)-5,5-dimethyl-2-(4-methylsulfonylphenyl)furan-2-yl]oxyethanoate Openeye Name: 2-[[3-(3-fluorophenyl)-5,5-dimethyl-2-(4-methylsulfonylphenyl)-2-furyl]oxy]acetate CAS Name: 2-[[3-(3-fluorophenyl)-5,5-dimethyl-2-(4-methylsulfonylphenyl)-2-furanyl]oxy]acetate IUPAC Name: 2-[3-(3-fluorophenyl)-5,5-dimethyl-2-(4-methylsulfonylphenyl)furan-2-yl]oxyacetate Traditional Name: 2-[[3-(3-fluorophenyl)-2-(4-mesylphenyl)-5,5-dimethyl-2-furyl]oxy]acetate Formula: C21H20FO6S- MolecularWeight: 419.443303

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C(O1)(C2=CC=C(C=C2)S(=O)(=O)C)OCC(=O)[O-])C3=CC(=CC=C3)F)C

Isomeric SMILES

CC1(C=C(C(O1)(C2=CC=C(C=C2)S(=O)(=O)C)OCC(=O)[O-])C3=CC(=CC=C3)F)C

InChI

InChI=1S/C21H21FO6S/c1-20(2)12-18(14-5-4-6-16(22)11-14)21(28-20,27-13-19(23)24)15-7-9-17(10-8-15)29(3,25)26/h4-12H,13H2,1-3H3,(H,23,24)/p-1