5-bromanyl-2-fluoranyl-3-(oxan-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 5-bromanyl-2-fluoranyl-3-(oxan-2-ylmethylsulfonyl)benzoic acid Openeye Name: 5-bromo-2-fluoro-3-(tetrahydropyran-2-ylmethylsulfonyl)benzoic acid CAS Name: 5-bromo-2-fluoro-3-(2-oxanylmethylsulfonyl)benzoic acid IUPAC Name: 5-bromo-2-fluoro-3-(oxan-2-ylmethylsulfonyl)benzoic acid Traditional Name: 5-bromo-2-fluoro-3-(tetrahydropyran-2-ylmethylsulfonyl)benzoic acid Formula: C13H14BrFO5S MolecularWeight: 381.214663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CS(=O)(=O)C2=C(C(=CC(=C2)Br)C(=O)O)F

Isomeric SMILES

C1CCOC(C1)CS(=O)(=O)C2=C(C(=CC(=C2)Br)C(=O)O)F

InChI

InChI=1S/C13H14BrFO5S/c14-8-5-10(13(16)17)12(15)11(6-8)21(18,19)7-9-3-1-2-4-20-9/h5-6,9H,1-4,7H2,(H,16,17)