4-[2-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]benzoic acid

Systemtic Name: 4-[2-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]benzoic acid Openeye Name: 4-(2-benzyltetrazol-5-yl)benzoic acid CAS Name: 4-[2-(phenylmethyl)-5-tetrazolyl]benzoic acid IUPAC Name: 4-(2-benzyltetrazol-5-yl)benzoic acid Traditional Name: 4-(2-benzyltetrazol-5-yl)benzoic acid Formula: C15H12N4O2 MolecularWeight: 280.28138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2N=C(N=N2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2N=C(N=N2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H12N4O2/c20-15(21)13-8-6-12(7-9-13)14-16-18-19(17-14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,21)