4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid

Systemtic Name: 4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid Openeye Name: 4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid CAS Name: 4-[[2-(trifluoromethyl)phenyl]methylthio]benzoic acid IUPAC Name: 4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid Traditional Name: 4-[[2-(trifluoromethyl)benzyl]thio]benzoic acid Formula: C15H11F3O2S MolecularWeight: 312.30685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11F3O2S/c16-15(17,18)13-4-2-1-3-11(13)9-21-12-7-5-10(6-8-12)14(19)20/h1-8H,9H2,(H,19,20)