5-[2,4-bis(fluoranyl)phenoxy]-2-ethyl-3-methyl-6-(4-methylsulfonylphenyl)pyran-4-one

Systemtic Name: 5-[2,4-bis(fluoranyl)phenoxy]-2-ethyl-3-methyl-6-(4-methylsulfonylphenyl)pyran-4-one Openeye Name: 5-(2,4-difluorophenoxy)-2-ethyl-3-methyl-6-(4-methylsulfonylphenyl)pyran-4-one CAS Name: 5-(2,4-difluorophenoxy)-2-ethyl-3-methyl-6-(4-methylsulfonylphenyl)-4-pyranone IUPAC Name: 5-(2,4-difluorophenoxy)-2-ethyl-3-methyl-6-(4-methylsulfonylphenyl)pyran-4-one Traditional Name: 5-(2,4-difluorophenoxy)-2-ethyl-6-(4-mesylphenyl)-3-methyl-pyran-4-one Formula: C21H18F2O5S MolecularWeight: 420.426426

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)OC3=C(C=C(C=C3)F)F)C

Isomeric SMILES

CCC1=C(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)OC3=C(C=C(C=C3)F)F)C

InChI

InChI=1S/C21H18F2O5S/c1-4-17-12(2)19(24)21(28-18-10-7-14(22)11-16(18)23)20(27-17)13-5-8-15(9-6-13)29(3,25)26/h5-11H,4H2,1-3H3