2-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid CAS Name: 2-[(4-bromophenyl)methylthio]-5-(trifluoromethyl)benzoic acid IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid Traditional Name: 2-[(4-bromobenzyl)thio]-5-(trifluoromethyl)benzoic acid Formula: C15H10BrF3O2S MolecularWeight: 391.20291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C(C=C(C=C2)C(F)(F)F)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CSC2=C(C=C(C=C2)C(F)(F)F)C(=O)O)Br

InChI

InChI=1S/C15H10BrF3O2S/c16-11-4-1-9(2-5-11)8-22-13-6-3-10(15(17,18)19)7-12(13)14(20)21/h1-7H,8H2,(H,20,21)