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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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