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

Systemtic Name: 3-[4-(3-carboxyphenyl)-4-phenyl-1,2,4-triazol-4-ium-3-yl]benzoic acid Openeye Name: 3-[4-(3-carboxyphenyl)-4-phenyl-1,2,4-triazol-4-ium-3-yl]benzoic acid CAS Name: 3-[4-(3-carboxyphenyl)-4-phenyl-1,2,4-triazol-4-ium-3-yl]benzoic acid IUPAC Name: 3-[4-(3-carboxyphenyl)-4-phenyl-1,2,4-triazol-4-ium-3-yl]benzoic acid Traditional Name: 3-[4-(3-carboxyphenyl)-4-phenyl-1,2,4-triazol-4-ium-3-yl]benzoic acid Formula: C22H16N3O4+ MolecularWeight: 386.38014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2(C=NN=C2C3=CC(=CC=C3)C(=O)O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[N+]2(C=NN=C2C3=CC(=CC=C3)C(=O)O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C22H15N3O4/c26-21(27)16-7-4-6-15(12-16)20-24-23-14-25(20,18-9-2-1-3-10-18)19-11-5-8-17(13-19)22(28)29/h1-14H,(H-,26,27,28,29)/p+1