4-fluoranyl-2-(trifluoromethyl)benzoic acid; [methyl(sulfino)amino]methane

Systemtic Name: 4-fluoranyl-2-(trifluoromethyl)benzoic acid; [methyl(sulfino)amino]methane Openeye Name: 4-fluoro-2-(trifluoromethyl)benzoic acid; [methyl(sulfino)amino]methane CAS Name: 4-fluoro-2-(trifluoromethyl)benzoic acid; [methyl(sulfino)amino]methane IUPAC Name: 4-fluoro-2-(trifluoromethyl)benzoic acid; [methyl(sulfino)amino]methane Traditional Name: 4-fluoro-2-(trifluoromethyl)benzoic acid; [methyl(sulfino)amino]methane Formula: C10H11F4NO4S MolecularWeight: 317.257253

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)O.C1=CC(=C(C=C1F)C(F)(F)F)C(=O)O

Isomeric SMILES

CN(C)S(=O)O.C1=CC(=C(C=C1F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C8H4F4O2.C2H7NO2S/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12;1-3(2)6(4)5/h1-3H,(H,13,14);1-2H3,(H,4,5)