5-(2,3,5-trimethylphenoxy)-2H-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-(2,3,5-trimethylphenoxy)-2H-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-(2,3,5-trimethylphenoxy)-2H-triazole-4-carboxylic acid CAS Name: 5-(2,3,5-trimethylphenoxy)-2H-triazole-4-carboxylic acid IUPAC Name: 5-(2,3,5-trimethylphenoxy)-2H-triazole-4-carboxylic acid Traditional Name: 5-(2,3,5-trimethylphenoxy)-2H-triazole-4-carboxylic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2=NNN=C2C(=O)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=NNN=C2C(=O)O)C)C

InChI

InChI=1S/C12H13N3O3/c1-6-4-7(2)8(3)9(5-6)18-11-10(12(16)17)13-15-14-11/h4-5H,1-3H3,(H,16,17)(H,13,14,15)