2-[(3-nitrophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid CAS Name: 2-[(3-nitrophenyl)methylthio]-5-(trifluoromethylsulfonyl)benzoic acid IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid Traditional Name: 2-[(3-nitrobenzyl)thio]-5-triflyl-benzoic acid Formula: C15H10F3NO6S2 MolecularWeight: 421.36821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10F3NO6S2/c16-15(17,18)27(24,25)11-4-5-13(12(7-11)14(20)21)26-8-9-2-1-3-10(6-9)19(22)23/h1-7H,8H2,(H,20,21)