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

Systemtic Name: 3-bromanyl-4-[[2-(trifluoromethylsulfonyl)phenyl]methylsulfonyl]benzoic acid Openeye Name: 3-bromo-4-[[2-(trifluoromethylsulfonyl)phenyl]methylsulfonyl]benzoic acid CAS Name: 3-bromo-4-[[2-(trifluoromethylsulfonyl)phenyl]methylsulfonyl]benzoic acid IUPAC Name: 3-bromo-4-[[2-(trifluoromethylsulfonyl)phenyl]methylsulfonyl]benzoic acid Traditional Name: 3-bromo-4-(2-triflylbenzyl)sulfonyl-benzoic acid Formula: C15H10BrF3O6S2 MolecularWeight: 487.26551

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10BrF3O6S2/c16-11-7-9(14(20)21)5-6-13(11)26(22,23)8-10-3-1-2-4-12(10)27(24,25)15(17,18)19/h1-7H,8H2,(H,20,21)