4-fluoranyl-3-pentylsulfonyl-benzoic acid

Systemtic Name: 4-fluoranyl-3-pentylsulfonyl-benzoic acid Openeye Name: 4-fluoro-3-pentylsulfonyl-benzoic acid CAS Name: 4-fluoro-3-pentylsulfonylbenzoic acid IUPAC Name: 4-fluoro-3-pentylsulfonylbenzoic acid Traditional Name: 3-amylsulfonyl-4-fluoro-benzoic acid Formula: C12H15FO4S MolecularWeight: 274.308503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15FO4S/c1-2-3-4-7-18(16,17)11-8-9(12(14)15)5-6-10(11)13/h5-6,8H,2-4,7H2,1H3,(H,14,15)