5-[2,4-bis(fluoranyl)phenoxy]-6-(4-methylsulfonylphenyl)-4-oxidanylidene-pyran-2-carboxylic acid

Systemtic Name: 5-[2,4-bis(fluoranyl)phenoxy]-6-(4-methylsulfonylphenyl)-4-oxidanylidene-pyran-2-carboxylic acid Openeye Name: 5-(2,4-difluorophenoxy)-6-(4-methylsulfonylphenyl)-4-oxo-pyran-2-carboxylic acid CAS Name: 5-(2,4-difluorophenoxy)-6-(4-methylsulfonylphenyl)-4-oxo-2-pyrancarboxylic acid IUPAC Name: 5-(2,4-difluorophenoxy)-6-(4-methylsulfonylphenyl)-4-oxopyran-2-carboxylic acid Traditional Name: 5-(2,4-difluorophenoxy)-4-keto-6-(4-mesylphenyl)pyran-2-carboxylic acid Formula: C19H12F2O7S MolecularWeight: 422.356186

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)C=C(O2)C(=O)O)OC3=C(C=C(C=C3)F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)C=C(O2)C(=O)O)OC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C19H12F2O7S/c1-29(25,26)12-5-2-10(3-6-12)17-18(14(22)9-16(28-17)19(23)24)27-15-7-4-11(20)8-13(15)21/h2-9H,1H3,(H,23,24)