2-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid CAS Name: 2-[(4-nitrophenyl)methylthio]-5-(trifluoromethyl)benzoic acid IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid Traditional Name: 2-[(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=C(C=C(C=C2)C(F)(F)F)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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