3-[(4-iodophenyl)methylsulfonyl]-5-(trifluoromethylsulfonyl)benzoic acid

Systemtic Name: 3-[(4-iodophenyl)methylsulfonyl]-5-(trifluoromethylsulfonyl)benzoic acid Openeye Name: 3-[(4-iodophenyl)methylsulfonyl]-5-(trifluoromethylsulfonyl)benzoic acid CAS Name: 3-[(4-iodophenyl)methylsulfonyl]-5-(trifluoromethylsulfonyl)benzoic acid IUPAC Name: 3-[(4-iodophenyl)methylsulfonyl]-5-(trifluoromethylsulfonyl)benzoic acid Traditional Name: 3-(4-iodobenzyl)sulfonyl-5-triflyl-benzoic acid Formula: C15H10F3IO6S2 MolecularWeight: 534.26598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)C2=CC(=CC(=C2)C(=O)O)S(=O)(=O)C(F)(F)F)I

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)C2=CC(=CC(=C2)C(=O)O)S(=O)(=O)C(F)(F)F)I

InChI

InChI=1S/C15H10F3IO6S2/c16-15(17,18)27(24,25)13-6-10(14(20)21)5-12(7-13)26(22,23)8-9-1-3-11(19)4-2-9/h1-7H,8H2,(H,20,21)