3-[3,4-bis(fluoranyl)phenoxy]-5-methyl-4-(4-methylsulfonylphenyl)-3-propyl-oxolan-2-one

Systemtic Name: 3-[3,4-bis(fluoranyl)phenoxy]-5-methyl-4-(4-methylsulfonylphenyl)-3-propyl-oxolan-2-one Openeye Name: 3-(3,4-difluorophenoxy)-5-methyl-4-(4-methylsulfonylphenyl)-3-propyl-tetrahydrofuran-2-one CAS Name: 3-(3,4-difluorophenoxy)-5-methyl-4-(4-methylsulfonylphenyl)-3-propyl-2-oxolanone IUPAC Name: 3-(3,4-difluorophenoxy)-5-methyl-4-(4-methylsulfonylphenyl)-3-propyloxolan-2-one Traditional Name: 3-(3,4-difluorophenoxy)-4-(4-mesylphenyl)-5-methyl-3-propyl-tetrahydrofuran-2-one Formula: C21H22F2O5S MolecularWeight: 424.458186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(C(OC1=O)C)C2=CC=C(C=C2)S(=O)(=O)C)OC3=CC(=C(C=C3)F)F

Isomeric SMILES

CCCC1(C(C(OC1=O)C)C2=CC=C(C=C2)S(=O)(=O)C)OC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C21H22F2O5S/c1-4-11-21(28-15-7-10-17(22)18(23)12-15)19(13(2)27-20(21)24)14-5-8-16(9-6-14)29(3,25)26/h5-10,12-13,19H,4,11H2,1-3H3