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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3N=C(C(=N3)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3N=C(C(=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)9-21-19-14(17(24)25)15(20-21)18(26)27/h1-8H,9H2,(H,22,23)(H,24,25)(H,26,27)