2-[(4-iodophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid

Systemtic Name: 2-[(4-iodophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid Openeye Name: 2-[(4-iodophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid CAS Name: 2-[(4-iodophenyl)methylthio]-5-(trifluoromethylsulfonyl)benzoic acid IUPAC Name: 2-[(4-iodophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid Traditional Name: 2-[(4-iodobenzyl)thio]-5-triflyl-benzoic acid Formula: C15H10F3IO4S2 MolecularWeight: 502.26718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)C(=O)O)I

Isomeric SMILES

C1=CC(=CC=C1CSC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)C(=O)O)I

InChI

InChI=1S/C15H10F3IO4S2/c16-15(17,18)25(22,23)11-5-6-13(12(7-11)14(20)21)24-8-9-1-3-10(19)4-2-9/h1-7H,8H2,(H,20,21)