3-[(3-iodanylphenyl)methylsulfanyl]-5-(trifluoromethyloxy)benzoic acid

Systemtic Name: 3-[(3-iodanylphenyl)methylsulfanyl]-5-(trifluoromethyloxy)benzoic acid Openeye Name: 3-[(3-iodophenyl)methylsulfanyl]-5-(trifluoromethoxy)benzoic acid CAS Name: 3-[(3-iodophenyl)methylthio]-5-(trifluoromethoxy)benzoic acid IUPAC Name: 3-[(3-iodophenyl)methylsulfanyl]-5-(trifluoromethoxy)benzoic acid Traditional Name: 3-[(3-iodobenzyl)thio]-5-(trifluoromethoxy)benzoic acid Formula: C15H10F3IO3S MolecularWeight: 454.20278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)CSC2=CC(=CC(=C2)OC(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)I)CSC2=CC(=CC(=C2)OC(F)(F)F)C(=O)O

InChI

InChI=1S/C15H10F3IO3S/c16-15(17,18)22-12-5-10(14(20)21)6-13(7-12)23-8-9-2-1-3-11(19)4-9/h1-7H,8H2,(H,20,21)