4-[[4-phenyl-3-(trifluoromethyl)phenyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[4-phenyl-3-(trifluoromethyl)phenyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[4-phenyl-3-(trifluoromethyl)phenyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[4-phenyl-3-(trifluoromethyl)phenyl]thio]methyl]benzoic acid IUPAC Name: 4-[[4-phenyl-3-(trifluoromethyl)phenyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[4-phenyl-3-(trifluoromethyl)phenyl]thio]methyl]benzoic acid Formula: C21H15F3O2S MolecularWeight: 388.40281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)SCC3=CC=C(C=C3)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)SCC3=CC=C(C=C3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C21H15F3O2S/c22-21(23,24)19-12-17(10-11-18(19)15-4-2-1-3-5-15)27-13-14-6-8-16(9-7-14)20(25)26/h1-12H,13H2,(H,25,26)