2-[(3-iodanylphenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid

Systemtic Name: 2-[(3-iodanylphenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid Openeye Name: 2-[(3-iodophenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid CAS Name: 2-[(3-iodophenyl)methylthio]-5-(trifluoromethyl)benzoic acid IUPAC Name: 2-[(3-iodophenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid Traditional Name: 2-[(3-iodobenzyl)thio]-5-(trifluoromethyl)benzoic acid Formula: C15H10F3IO2S MolecularWeight: 438.20338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10F3IO2S/c16-15(17,18)10-4-5-13(12(7-10)14(20)21)22-8-9-2-1-3-11(19)6-9/h1-7H,8H2,(H,20,21)