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

Systemtic Name: 2-[(4-bromophenyl)methylsulfonyl]-5-(trifluoromethyl)benzoic acid Openeye Name: 2-[(4-bromophenyl)methylsulfonyl]-5-(trifluoromethyl)benzoic acid CAS Name: 2-[(4-bromophenyl)methylsulfonyl]-5-(trifluoromethyl)benzoic acid IUPAC Name: 2-[(4-bromophenyl)methylsulfonyl]-5-(trifluoromethyl)benzoic acid Traditional Name: 2-(4-bromobenzyl)sulfonyl-5-(trifluoromethyl)benzoic acid Formula: C15H10BrF3O4S MolecularWeight: 423.20171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)C2=C(C=C(C=C2)C(F)(F)F)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)C2=C(C=C(C=C2)C(F)(F)F)C(=O)O)Br

InChI

InChI=1S/C15H10BrF3O4S/c16-11-4-1-9(2-5-11)8-24(22,23)13-6-3-10(15(17,18)19)7-12(13)14(20)21/h1-7H,8H2,(H,20,21)