3-[3,5-bis(trifluoromethyl)phenyl]-1,2-thiazole-4,5-dicarboxylic acid

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1,2-thiazole-4,5-dicarboxylic acid Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]isothiazole-4,5-dicarboxylic acid CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]isothiazole-4,5-dicarboxylic acid IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1,2-thiazole-4,5-dicarboxylic acid Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]isothiazole-4,5-dicarboxylic acid Formula: C13H5F6NO4S MolecularWeight: 385.238519

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NSC(=C2C(=O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NSC(=C2C(=O)O)C(=O)O

InChI

InChI=1S/C13H5F6NO4S/c14-12(15,16)5-1-4(2-6(3-5)13(17,18)19)8-7(10(21)22)9(11(23)24)25-20-8/h1-3H,(H,21,22)(H,23,24)