5-sulfanylpyridine-2-carboxylic acid; 2-[3-(trifluoromethyl)phenyl]ethanoic acid

Systemtic Name: 5-sulfanylpyridine-2-carboxylic acid; 2-[3-(trifluoromethyl)phenyl]ethanoic acid Openeye Name: 5-sulfanylpyridine-2-carboxylic acid; 2-[3-(trifluoromethyl)phenyl]acetic acid CAS Name: 5-mercapto-2-pyridinecarboxylic acid; 2-[3-(trifluoromethyl)phenyl]acetic acid IUPAC Name: 5-sulfanylpyridine-2-carboxylic acid; 2-[3-(trifluoromethyl)phenyl]acetic acid Traditional Name: 5-mercaptopicolinic acid; 2-[3-(trifluoromethyl)phenyl]acetic acid Formula: C15H12F3NO4S MolecularWeight: 359.32029

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CC(=O)O.C1=CC(=NC=C1S)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CC(=O)O.C1=CC(=NC=C1S)C(=O)O

InChI

InChI=1S/C9H7F3O2.C6H5NO2S/c10-9(11,12)7-3-1-2-6(4-7)5-8(13)14;8-6(9)5-2-1-4(10)3-7-5/h1-4H,5H2,(H,13,14);1-3,10H,(H,8,9)