1-(4-iodophenyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-(4-iodophenyl)-1,2,3-triazole-4-carboxylate Openeye Name: 1-(4-iodophenyl)triazole-4-carboxylate CAS Name: 1-(4-iodophenyl)-4-triazolecarboxylate IUPAC Name: 1-(4-iodophenyl)triazole-4-carboxylate Traditional Name: 1-(4-iodophenyl)triazole-4-carboxylate Formula: C9H5IN3O2- MolecularWeight: 314.05937

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=C(N=N2)C(=O)[O-])I

Isomeric SMILES

C1=CC(=CC=C1N2C=C(N=N2)C(=O)[O-])I

InChI

InChI=1S/C9H6IN3O2/c10-6-1-3-7(4-2-6)13-5-8(9(14)15)11-12-13/h1-5H,(H,14,15)/p-1