4-[(5-bromanyl-2-fluoranyl-phenyl)methylsulfonyl]benzoate

Systemtic Name: 4-[(5-bromanyl-2-fluoranyl-phenyl)methylsulfonyl]benzoate Openeye Name: 4-[(5-bromo-2-fluoro-phenyl)methylsulfonyl]benzoate CAS Name: 4-[(5-bromo-2-fluorophenyl)methylsulfonyl]benzoate IUPAC Name: 4-[(5-bromo-2-fluorophenyl)methylsulfonyl]benzoate Traditional Name: 4-(5-bromo-2-fluoro-benzyl)sulfonylbenzoate Formula: C14H9BrFO4S- MolecularWeight: 372.186263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)CC2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C14H10BrFO4S/c15-11-3-6-13(16)10(7-11)8-21(19,20)12-4-1-9(2-5-12)14(17)18/h1-7H,8H2,(H,17,18)/p-1