2-(phenylmethylsulfanyl)-5-(trifluoromethyloxy)benzoic acid

Systemtic Name: 2-(phenylmethylsulfanyl)-5-(trifluoromethyloxy)benzoic acid Openeye Name: 2-benzylsulfanyl-5-(trifluoromethoxy)benzoic acid CAS Name: 2-(phenylmethylthio)-5-(trifluoromethoxy)benzoic acid IUPAC Name: 2-benzylsulfanyl-5-(trifluoromethoxy)benzoic acid Traditional Name: 2-(benzylthio)-5-(trifluoromethoxy)benzoic acid Formula: C15H11F3O3S MolecularWeight: 328.30625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11F3O3S/c16-15(17,18)21-11-6-7-13(12(8-11)14(19)20)22-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)