4-(5-methyl-3-phenyl-1,2,3,4-tetrazol-2-ium-2-yl)benzoic acid

Systemtic Name: 4-(5-methyl-3-phenyl-1,2,3,4-tetrazol-2-ium-2-yl)benzoic acid Openeye Name: 4-(5-methyl-3-phenyl-tetrazol-2-ium-2-yl)benzoic acid CAS Name: 4-(5-methyl-3-phenyl-2-tetrazol-2-iumyl)benzoic acid IUPAC Name: 4-(5-methyl-3-phenyltetrazol-2-ium-2-yl)benzoic acid Traditional Name: 4-(5-methyl-3-phenyl-tetrazol-2-ium-2-yl)benzoic acid Formula: C15H13N4O2+ MolecularWeight: 281.28932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN([N+](=N1)C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN([N+](=N1)C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C15H12N4O2/c1-11-16-18(13-5-3-2-4-6-13)19(17-11)14-9-7-12(8-10-14)15(20)21/h2-10H,1H3/p+1