4-[3,4-bis(fluoranyl)phenyl]sulfonyloxane-4-carboxylic acid

Systemtic Name: 4-[3,4-bis(fluoranyl)phenyl]sulfonyloxane-4-carboxylic acid Openeye Name: 4-(3,4-difluorophenyl)sulfonyltetrahydropyran-4-carboxylic acid CAS Name: 4-(3,4-difluorophenyl)sulfonyl-4-oxanecarboxylic acid IUPAC Name: 4-(3,4-difluorophenyl)sulfonyloxane-4-carboxylic acid Traditional Name: 4-(3,4-difluorophenyl)sulfonyltetrahydropyran-4-carboxylic acid Formula: C12H12F2O5S MolecularWeight: 306.282486

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)F)F

Isomeric SMILES

C1COCCC1(C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)F)F

InChI

InChI=1S/C12H12F2O5S/c13-9-2-1-8(7-10(9)14)20(17,18)12(11(15)16)3-5-19-6-4-12/h1-2,7H,3-6H2,(H,15,16)