methyl 2-phenylsulfanyl-4-(trifluoromethyl)benzoate

Systemtic Name: methyl 2-phenylsulfanyl-4-(trifluoromethyl)benzoate Openeye Name: methyl 2-phenylsulfanyl-4-(trifluoromethyl)benzoate CAS Name: 2-(phenylthio)-4-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 2-phenylsulfanyl-4-(trifluoromethyl)benzoate Traditional Name: 2-(phenylthio)-4-(trifluoromethyl)benzoic acid methyl ester Formula: C15H11F3O2S MolecularWeight: 312.30685

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)C(F)(F)F)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)C(F)(F)F)SC2=CC=CC=C2

InChI

InChI=1S/C15H11F3O2S/c1-20-14(19)12-8-7-10(15(16,17)18)9-13(12)21-11-5-3-2-4-6-11/h2-9H,1H3