3-hex-3-enyl-5-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 3-hex-3-enyl-5-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 3-hex-3-enyl-5-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 3-hex-3-enyl-5-phenyl-1-[2-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-hex-3-enyl-5-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 3-hex-3-enyl-5-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C23H21F3N2O2 MolecularWeight: 414.42025

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCC=CCCC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C23H21F3N2O2/c1-2-3-4-8-14-18-20(22(29)30)21(16-11-6-5-7-12-16)28(27-18)19-15-10-9-13-17(19)23(24,25)26/h3-7,9-13,15H,2,8,14H2,1H3,(H,29,30)