3-nitro-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid

Systemtic Name: 3-nitro-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid Openeye Name: 3-nitro-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid CAS Name: 3-nitro-5-[[2-(trifluoromethyl)phenyl]methylthio]benzoic acid IUPAC Name: 3-nitro-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid Traditional Name: 3-nitro-5-[[2-(trifluoromethyl)benzyl]thio]benzoic acid Formula: C15H10F3NO4S MolecularWeight: 357.30441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10F3NO4S/c16-15(17,18)13-4-2-1-3-9(13)8-24-12-6-10(14(20)21)5-11(7-12)19(22)23/h1-7H,8H2,(H,20,21)