1-[2-(2,6-dimethylphenoxy)ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(2,6-dimethylphenoxy)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(2,6-dimethylphenoxy)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(2,6-dimethylphenoxy)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(2,6-dimethylphenoxy)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(2,6-dimethylphenoxy)ethyl]triazole-4-carboxylic acid Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCN2C=C(N=N2)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCN2C=C(N=N2)C(=O)O

InChI

InChI=1S/C13H15N3O3/c1-9-4-3-5-10(2)12(9)19-7-6-16-8-11(13(17)18)14-15-16/h3-5,8H,6-7H2,1-2H3,(H,17,18)