2-[5-(4-carboxyphenyl)-3-phenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-2-yl]benzoic acid

Systemtic Name: 2-[5-(4-carboxyphenyl)-3-phenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-2-yl]benzoic acid Openeye Name: 2-[5-(4-carboxyphenyl)-3-phenyl-1,3-dihydrotetrazol-3-ium-2-yl]benzoic acid CAS Name: 2-[5-(4-carboxyphenyl)-3-phenyl-1,3-dihydrotetrazol-3-ium-2-yl]benzoic acid IUPAC Name: 2-[5-(4-carboxyphenyl)-3-phenyl-1,3-dihydrotetrazol-3-ium-2-yl]benzoic acid Traditional Name: 2-[5-(4-carboxyphenyl)-3-phenyl-1,3-dihydrotetrazol-3-ium-2-yl]benzoic acid Formula: C21H17N4O4+ MolecularWeight: 389.38408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3C(=O)O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3C(=O)O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H16N4O4/c26-20(27)15-12-10-14(11-13-15)19-22-24(16-6-2-1-3-7-16)25(23-19)18-9-5-4-8-17(18)21(28)29/h1-13H,(H,22,23)(H,26,27)(H,28,29)/p+1