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

Systemtic Name: 3-hex-3-enyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 3-hex-3-enyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 3-hex-3-enyl-5-methyl-1-[2-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-hex-3-enyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 3-hex-3-enyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C18H19F3N2O2 MolecularWeight: 352.35087

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCC1=NN(C(=C1C(=O)O)C)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCC=CCCC1=NN(C(=C1C(=O)O)C)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C18H19F3N2O2/c1-3-4-5-6-10-14-16(17(24)25)12(2)23(22-14)15-11-8-7-9-13(15)18(19,20)21/h4-5,7-9,11H,3,6,10H2,1-2H3,(H,24,25)