5-bromanyl-2-fluoranyl-3-(phenylmethyl)sulfonyl-benzoic acid

Systemtic Name: 5-bromanyl-2-fluoranyl-3-(phenylmethyl)sulfonyl-benzoic acid Openeye Name: 3-benzylsulfonyl-5-bromo-2-fluoro-benzoic acid CAS Name: 5-bromo-2-fluoro-3-(phenylmethyl)sulfonylbenzoic acid IUPAC Name: 3-benzylsulfonyl-5-bromo-2-fluorobenzoic acid Traditional Name: 3-benzylsulfonyl-5-bromo-2-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)Br)C(=O)O)F

Isomeric SMILES

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

InChI

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