3-phenyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid; (sulfinoamino)ethane

Systemtic Name: 3-phenyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid; (sulfinoamino)ethane Openeye Name: 3-phenyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid; (sulfinoamino)ethane CAS Name: 3-phenyl-5-[[4-(trifluoromethyl)phenyl]methylthio]benzoic acid; (sulfinoamino)ethane IUPAC Name: 3-phenyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid; (sulfinoamino)ethane Traditional Name: 3-phenyl-5-[[4-(trifluoromethyl)benzyl]thio]benzoic acid; (sulfinoamino)ethane Formula: C23H22F3NO4S2 MolecularWeight: 497.55029

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)O.C1=CC=C(C=C1)C2=CC(=CC(=C2)SCC3=CC=C(C=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

CCNS(=O)O.C1=CC=C(C=C1)C2=CC(=CC(=C2)SCC3=CC=C(C=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C21H15F3O2S.C2H7NO2S/c22-21(23,24)18-8-6-14(7-9-18)13-27-19-11-16(10-17(12-19)20(25)26)15-4-2-1-3-5-15;1-2-3-6(4)5/h1-12H,13H2,(H,25,26);3H,2H2,1H3,(H,4,5)