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

Systemtic Name: 4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[3-(trifluoromethyl)phenyl]thio]methyl]benzoic acid IUPAC Name: 4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[3-(trifluoromethyl)phenyl]thio]methyl]benzoic acid Formula: C15H11F3O2S MolecularWeight: 312.30685

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCC2=CC=C(C=C2)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)SCC2=CC=C(C=C2)C(=O)O)C(F)(F)F

InChI

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