5-chloranyl-3-nitro-2-(trifluoromethylsulfonyloxy)benzoic acid

Systemtic Name: 5-chloranyl-3-nitro-2-(trifluoromethylsulfonyloxy)benzoic acid Openeye Name: 5-chloro-3-nitro-2-(trifluoromethylsulfonyloxy)benzoic acid CAS Name: 5-chloro-3-nitro-2-(trifluoromethylsulfonyloxy)benzoic acid IUPAC Name: 5-chloro-3-nitro-2-(trifluoromethylsulfonyloxy)benzoic acid Traditional Name: 5-chloro-3-nitro-2-triflyloxy-benzoic acid Formula: C8H3ClF3NO7S MolecularWeight: 349.62513

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])OS(=O)(=O)C(F)(F)F)C(=O)O)Cl

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])OS(=O)(=O)C(F)(F)F)C(=O)O)Cl

InChI

InChI=1S/C8H3ClF3NO7S/c9-3-1-4(7(14)15)6(5(2-3)13(16)17)20-21(18,19)8(10,11)12/h1-2H,(H,14,15)