5-bromanyl-2-fluoranyl-3-pentylsulfonyl-benzoic acid

Systemtic Name: 5-bromanyl-2-fluoranyl-3-pentylsulfonyl-benzoic acid Openeye Name: 5-bromo-2-fluoro-3-pentylsulfonyl-benzoic acid CAS Name: 5-bromo-2-fluoro-3-pentylsulfonylbenzoic acid IUPAC Name: 5-bromo-2-fluoro-3-pentylsulfonylbenzoic acid Traditional Name: 3-amylsulfonyl-5-bromo-2-fluoro-benzoic acid Formula: C12H14BrFO4S MolecularWeight: 353.204563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)C1=C(C(=CC(=C1)Br)C(=O)O)F

Isomeric SMILES

CCCCCS(=O)(=O)C1=C(C(=CC(=C1)Br)C(=O)O)F

InChI

InChI=1S/C12H14BrFO4S/c1-2-3-4-5-19(17,18)10-7-8(13)6-9(11(10)14)12(15)16/h6-7H,2-5H2,1H3,(H,15,16)