4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzoate

Systemtic Name: 4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzoate Openeye Name: 4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzoate CAS Name: 4-[[3-(trifluoromethyl)phenyl]methylthio]benzoate IUPAC Name: 4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzoate Traditional Name: 4-[[3-(trifluoromethyl)benzyl]thio]benzoate Formula: C15H10F3O2S- MolecularWeight: 311.29891

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CSC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CSC2=CC=C(C=C2)C(=O)[O-]

InChI

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