4-fluoranyl-3-octylsulfonyl-benzoic acid

Systemtic Name: 4-fluoranyl-3-octylsulfonyl-benzoic acid Openeye Name: 4-fluoro-3-octylsulfonyl-benzoic acid CAS Name: 4-fluoro-3-octylsulfonylbenzoic acid IUPAC Name: 4-fluoro-3-octylsulfonylbenzoic acid Traditional Name: 4-fluoro-3-octylsulfonyl-benzoic acid Formula: C15H21FO4S MolecularWeight: 316.388243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21FO4S/c1-2-3-4-5-6-7-10-21(19,20)14-11-12(15(17)18)8-9-13(14)16/h8-9,11H,2-7,10H2,1H3,(H,17,18)