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

Systemtic Name: [3-(3-fluorophenyl)-5,5-dimethyl-2-(4-methylsulfonylphenyl)furan-2-yl] ethanoate Openeye Name: [3-(3-fluorophenyl)-5,5-dimethyl-2-(4-methylsulfonylphenyl)-2-furyl] acetate CAS Name: acetic acid [3-(3-fluorophenyl)-5,5-dimethyl-2-(4-methylsulfonylphenyl)-2-furanyl] ester IUPAC Name: [3-(3-fluorophenyl)-5,5-dimethyl-2-(4-methylsulfonylphenyl)furan-2-yl] acetate Traditional Name: acetic acid [3-(3-fluorophenyl)-2-(4-mesylphenyl)-5,5-dimethyl-2-furyl] ester Formula: C21H21FO5S MolecularWeight: 404.451843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(C(=CC(O1)(C)C)C2=CC(=CC=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(=O)OC1(C(=CC(O1)(C)C)C2=CC(=CC=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H21FO5S/c1-14(23)26-21(16-8-10-18(11-9-16)28(4,24)25)19(13-20(2,3)27-21)15-6-5-7-17(22)12-15/h5-13H,1-4H3