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

Systemtic Name: 3-[(2-bromophenyl)methylsulfonyl]-4-fluoranyl-benzoic acid Openeye Name: 3-[(2-bromophenyl)methylsulfonyl]-4-fluoro-benzoic acid CAS Name: 3-[(2-bromophenyl)methylsulfonyl]-4-fluorobenzoic acid IUPAC Name: 3-[(2-bromophenyl)methylsulfonyl]-4-fluorobenzoic acid Traditional Name: 3-(2-bromobenzyl)sulfonyl-4-fluoro-benzoic acid Formula: C14H10BrFO4S MolecularWeight: 373.194203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F)Br

Isomeric SMILES

C1=CC=C(C(=C1)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F)Br

InChI

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