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

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-phenyl-pyrazole-3,4-dicarboxylic acid Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-phenyl-pyrazole-3,4-dicarboxylic acid CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-phenylpyrazole-3,4-dicarboxylic acid IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-phenylpyrazole-3,4-dicarboxylic acid Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-phenyl-pyrazole-3,4-dicarboxylic acid Formula: C19H10F6N2O4 MolecularWeight: 444.284119

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NN2C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NN2C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)O)C(=O)O

InChI

InChI=1S/C19H10F6N2O4/c20-18(21,22)10-6-11(19(23,24)25)8-12(7-10)27-15(9-4-2-1-3-5-9)13(16(28)29)14(26-27)17(30)31/h1-8H,(H,28,29)(H,30,31)