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

Systemtic Name: 5-bromanyl-3-cyclohexylsulfonyl-2-fluoranyl-benzoic acid Openeye Name: 5-bromo-3-cyclohexylsulfonyl-2-fluoro-benzoic acid CAS Name: 5-bromo-3-cyclohexylsulfonyl-2-fluorobenzoic acid IUPAC Name: 5-bromo-3-cyclohexylsulfonyl-2-fluorobenzoic acid Traditional Name: 5-bromo-3-cyclohexylsulfonyl-2-fluoro-benzoic acid Formula: C13H14BrFO4S MolecularWeight: 365.215263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)S(=O)(=O)C2=C(C(=CC(=C2)Br)C(=O)O)F

Isomeric SMILES

C1CCC(CC1)S(=O)(=O)C2=C(C(=CC(=C2)Br)C(=O)O)F

InChI

InChI=1S/C13H14BrFO4S/c14-8-6-10(13(16)17)12(15)11(7-8)20(18,19)9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,16,17)