2-(phenylmethylsulfanyl)-4-(trifluoromethyl)benzoic acid

Systemtic Name: 2-(phenylmethylsulfanyl)-4-(trifluoromethyl)benzoic acid Openeye Name: 2-benzylsulfanyl-4-(trifluoromethyl)benzoic acid CAS Name: 2-(phenylmethylthio)-4-(trifluoromethyl)benzoic acid IUPAC Name: 2-benzylsulfanyl-4-(trifluoromethyl)benzoic acid Traditional Name: 2-(benzylthio)-4-(trifluoromethyl)benzoic acid Formula: C15H11F3O2S MolecularWeight: 312.30685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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