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

Systemtic Name: 5-bromanyl-2-fluoranyl-3-heptylsulfonyl-benzoic acid Openeye Name: 5-bromo-2-fluoro-3-heptylsulfonyl-benzoic acid CAS Name: 5-bromo-2-fluoro-3-heptylsulfonylbenzoic acid IUPAC Name: 5-bromo-2-fluoro-3-heptylsulfonylbenzoic acid Traditional Name: 5-bromo-2-fluoro-3-heptylsulfonyl-benzoic acid Formula: C14H18BrFO4S MolecularWeight: 381.257723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrFO4S/c1-2-3-4-5-6-7-21(19,20)12-9-10(15)8-11(13(12)16)14(17)18/h8-9H,2-7H2,1H3,(H,17,18)