3-(3-fluoranylphenoxy)-5-methyl-4-(4-methylsulfonylphenyl)-5-propyl-furan-2-one

Systemtic Name: 3-(3-fluoranylphenoxy)-5-methyl-4-(4-methylsulfonylphenyl)-5-propyl-furan-2-one Openeye Name: 3-(3-fluorophenoxy)-5-methyl-4-(4-methylsulfonylphenyl)-5-propyl-furan-2-one CAS Name: 3-(3-fluorophenoxy)-5-methyl-4-(4-methylsulfonylphenyl)-5-propyl-2-furanone IUPAC Name: 3-(3-fluorophenoxy)-5-methyl-4-(4-methylsulfonylphenyl)-5-propylfuran-2-one Traditional Name: 3-(3-fluorophenoxy)-4-(4-mesylphenyl)-5-methyl-5-propyl-furan-2-one Formula: C21H21FO5S MolecularWeight: 404.451843

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=C(C(=O)O1)OC2=CC(=CC=C2)F)C3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CCCC1(C(=C(C(=O)O1)OC2=CC(=CC=C2)F)C3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C21H21FO5S/c1-4-12-21(2)18(14-8-10-17(11-9-14)28(3,24)25)19(20(23)27-21)26-16-7-5-6-15(22)13-16/h5-11,13H,4,12H2,1-3H3