1-[2-(4-methyl-2-oxidanyl-phenoxy)phenyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(4-methyl-2-oxidanyl-phenoxy)phenyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(2-hydroxy-4-methyl-phenoxy)phenyl]triazole-4-carboxylic acid CAS Name: 1-[2-(2-hydroxy-4-methylphenoxy)phenyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(2-hydroxy-4-methylphenoxy)phenyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(2-hydroxy-4-methyl-phenoxy)phenyl]triazole-4-carboxylic acid Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=CC=CC=C2N3C=C(N=N3)C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=CC=CC=C2N3C=C(N=N3)C(=O)O)O

InChI

InChI=1S/C16H13N3O4/c1-10-6-7-15(13(20)8-10)23-14-5-3-2-4-12(14)19-9-11(16(21)22)17-18-19/h2-9,20H,1H3,(H,21,22)