1-[[4-(2-carboxyphenyl)phenyl]methyl]-1,2,3-triazole-4,5-dicarboxylic acid

Systemtic Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-1,2,3-triazole-4,5-dicarboxylic acid Openeye Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]triazole-4,5-dicarboxylic acid CAS Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]triazole-4,5-dicarboxylic acid IUPAC Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]triazole-4,5-dicarboxylic acid Traditional Name: 1-[4-(2-carboxyphenyl)benzyl]triazole-4,5-dicarboxylic acid Formula: C18H13N3O6 MolecularWeight: 367.31232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C(=C(N=N3)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C(=C(N=N3)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C18H13N3O6/c22-16(23)13-4-2-1-3-12(13)11-7-5-10(6-8-11)9-21-15(18(26)27)14(17(24)25)19-20-21/h1-8H,9H2,(H,22,23)(H,24,25)(H,26,27)