2-phenyl-3,3-bis(2H-1,2,3-triazol-4-yl)propanoic acid

Systemtic Name: 2-phenyl-3,3-bis(2H-1,2,3-triazol-4-yl)propanoic acid Openeye Name: 2-phenyl-3,3-bis(2H-triazol-4-yl)propanoic acid CAS Name: 2-phenyl-3,3-bis(2H-triazol-4-yl)propanoic acid IUPAC Name: 2-phenyl-3,3-bis(2H-triazol-4-yl)propanoic acid Traditional Name: 2-phenyl-3,3-bis(2H-triazol-4-yl)propionic acid Formula: C13H12N6O2 MolecularWeight: 284.27338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C2=NNN=C2)C3=NNN=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(C2=NNN=C2)C3=NNN=C3)C(=O)O

InChI

InChI=1S/C13H12N6O2/c20-13(21)11(8-4-2-1-3-5-8)12(9-6-14-18-16-9)10-7-15-19-17-10/h1-7,11-12H,(H,20,21)(H,14,16,18)(H,15,17,19)