4-[2,5-bis(fluoranyl)phenyl]sulfonyloxane-4-carboxylic acid

Systemtic Name: 4-[2,5-bis(fluoranyl)phenyl]sulfonyloxane-4-carboxylic acid Openeye Name: 4-(2,5-difluorophenyl)sulfonyltetrahydropyran-4-carboxylic acid CAS Name: 4-(2,5-difluorophenyl)sulfonyl-4-oxanecarboxylic acid IUPAC Name: 4-(2,5-difluorophenyl)sulfonyloxane-4-carboxylic acid Traditional Name: 4-(2,5-difluorophenyl)sulfonyltetrahydropyran-4-carboxylic acid Formula: C12H12F2O5S MolecularWeight: 306.282486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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