3-phenacylsulfanyl-5-(trifluoromethyl)benzoic acid

Systemtic Name: 3-phenacylsulfanyl-5-(trifluoromethyl)benzoic acid Openeye Name: 3-phenacylsulfanyl-5-(trifluoromethyl)benzoic acid CAS Name: 3-(phenacylthio)-5-(trifluoromethyl)benzoic acid IUPAC Name: 3-phenacylsulfanyl-5-(trifluoromethyl)benzoic acid Traditional Name: 3-(phenacylthio)-5-(trifluoromethyl)benzoic acid Formula: C16H11F3O3S MolecularWeight: 340.31695

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F3O3S/c17-16(18,19)12-6-11(15(21)22)7-13(8-12)23-9-14(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,22)