2-[(5-bromanyl-2-fluoranyl-phenyl)methylsulfonyl]benzoic acid

Systemtic Name: 2-[(5-bromanyl-2-fluoranyl-phenyl)methylsulfonyl]benzoic acid Openeye Name: 2-[(5-bromo-2-fluoro-phenyl)methylsulfonyl]benzoic acid CAS Name: 2-[(5-bromo-2-fluorophenyl)methylsulfonyl]benzoic acid IUPAC Name: 2-[(5-bromo-2-fluorophenyl)methylsulfonyl]benzoic acid Traditional Name: 2-(5-bromo-2-fluoro-benzyl)sulfonylbenzoic acid Formula: C14H10BrFO4S MolecularWeight: 373.194203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)CC2=C(C=CC(=C2)Br)F

InChI

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