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

Systemtic Name: 3-bromanyl-4-[[2-(trifluoromethylsulfonyl)phenyl]methylsulfinyl]benzoic acid Openeye Name: 3-bromo-4-[[2-(trifluoromethylsulfonyl)phenyl]methylsulfinyl]benzoic acid CAS Name: 3-bromo-4-[[2-(trifluoromethylsulfonyl)phenyl]methylsulfinyl]benzoic acid IUPAC Name: 3-bromo-4-[[2-(trifluoromethylsulfonyl)phenyl]methylsulfinyl]benzoic acid Traditional Name: 3-bromo-4-(2-triflylbenzyl)sulfinyl-benzoic acid Formula: C15H10BrF3O5S2 MolecularWeight: 471.26611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C15H10BrF3O5S2/c16-11-7-9(14(20)21)5-6-12(11)25(22)8-10-3-1-2-4-13(10)26(23,24)15(17,18)19/h1-7H,8H2,(H,20,21)