3-(phenylmethylsulfanyl)-5-(trifluoromethyl)benzoic acid

Systemtic Name: 3-(phenylmethylsulfanyl)-5-(trifluoromethyl)benzoic acid Openeye Name: 3-benzylsulfanyl-5-(trifluoromethyl)benzoic acid CAS Name: 3-(phenylmethylthio)-5-(trifluoromethyl)benzoic acid IUPAC Name: 3-benzylsulfanyl-5-(trifluoromethyl)benzoic acid Traditional Name: 3-(benzylthio)-5-(trifluoromethyl)benzoic acid Formula: C15H11F3O2S MolecularWeight: 312.30685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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