1-tert-butyl-3-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-tert-butyl-3-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid Openeye Name: 1-tert-butyl-3-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid CAS Name: 1-tert-butyl-3-(2,4,6-trimethylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-tert-butyl-3-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid Traditional Name: 1-tert-butyl-3-mesityl-pyrazole-4-carboxylic acid Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NN(C=C2C(=O)O)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NN(C=C2C(=O)O)C(C)(C)C)C

InChI

InChI=1S/C17H22N2O2/c1-10-7-11(2)14(12(3)8-10)15-13(16(20)21)9-19(18-15)17(4,5)6/h7-9H,1-6H3,(H,20,21)