3-[(4-nitrophenyl)methylsulfinyl]-5-(trifluoromethylsulfonyl)benzoic acid

Systemtic Name: 3-[(4-nitrophenyl)methylsulfinyl]-5-(trifluoromethylsulfonyl)benzoic acid Openeye Name: 3-[(4-nitrophenyl)methylsulfinyl]-5-(trifluoromethylsulfonyl)benzoic acid CAS Name: 3-[(4-nitrophenyl)methylsulfinyl]-5-(trifluoromethylsulfonyl)benzoic acid IUPAC Name: 3-[(4-nitrophenyl)methylsulfinyl]-5-(trifluoromethylsulfonyl)benzoic acid Traditional Name: 3-(4-nitrobenzyl)sulfinyl-5-triflyl-benzoic acid Formula: C15H10F3NO7S2 MolecularWeight: 437.36761

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)C2=CC(=CC(=C2)C(=O)O)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CS(=O)C2=CC(=CC(=C2)C(=O)O)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H10F3NO7S2/c16-15(17,18)28(25,26)13-6-10(14(20)21)5-12(7-13)27(24)8-9-1-3-11(4-2-9)19(22)23/h1-7H,8H2,(H,20,21)