5-tert-butyl-1-(4-propylphenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-tert-butyl-1-(4-propylphenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-tert-butyl-1-(4-propylphenyl)triazole-4-carboxylic acid CAS Name: 5-tert-butyl-1-(4-propylphenyl)-4-triazolecarboxylic acid IUPAC Name: 5-tert-butyl-1-(4-propylphenyl)triazole-4-carboxylic acid Traditional Name: 5-tert-butyl-1-(4-propylphenyl)triazole-4-carboxylic acid Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)O)C(C)(C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)O)C(C)(C)C

InChI

InChI=1S/C16H21N3O2/c1-5-6-11-7-9-12(10-8-11)19-14(16(2,3)4)13(15(20)21)17-18-19/h7-10H,5-6H2,1-4H3,(H,20,21)