3-nitro-5-sulfamoyl-2-[3-(trifluoromethyl)phenoxy]benzoic acid

Systemtic Name: 3-nitro-5-sulfamoyl-2-[3-(trifluoromethyl)phenoxy]benzoic acid Openeye Name: 3-nitro-5-sulfamoyl-2-[3-(trifluoromethyl)phenoxy]benzoic acid CAS Name: 3-nitro-5-sulfamoyl-2-[3-(trifluoromethyl)phenoxy]benzoic acid IUPAC Name: 3-nitro-5-sulfamoyl-2-[3-(trifluoromethyl)phenoxy]benzoic acid Traditional Name: 3-nitro-5-sulfamoyl-2-[3-(trifluoromethyl)phenoxy]benzoic acid Formula: C14H9F3N2O7S MolecularWeight: 406.29067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=C(C=C(C=C2C(=O)O)S(=O)(=O)N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)OC2=C(C=C(C=C2C(=O)O)S(=O)(=O)N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H9F3N2O7S/c15-14(16,17)7-2-1-3-8(4-7)26-12-10(13(20)21)5-9(27(18,24)25)6-11(12)19(22)23/h1-6H,(H,20,21)(H2,18,24,25)