3-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid CAS Name: 3-[(4-nitrophenyl)methylthio]-5-(trifluoromethyl)benzoic acid IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid Traditional Name: 3-[(4-nitrobenzyl)thio]-5-(trifluoromethyl)benzoic acid Formula: C15H10F3NO4S MolecularWeight: 357.30441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=CC(=CC(=C2)C(F)(F)F)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=CC(=CC(=C2)C(F)(F)F)C(=O)O)[N+](=O)[O-]

InChI

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