3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfonyl]benzoic acid

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfonyl]benzoic acid Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfonyl]benzoic acid CAS Name: 3-[(4-bromo-2-fluorophenyl)methylsulfonyl]benzoic acid IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfonyl]benzoic acid Traditional Name: 3-(4-bromo-2-fluoro-benzyl)sulfonylbenzoic acid Formula: C14H10BrFO4S MolecularWeight: 373.194203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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