1-(2-iodanylphenyl)-5-propyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(2-iodanylphenyl)-5-propyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(2-iodophenyl)-5-propyl-triazole-4-carboxylic acid CAS Name: 1-(2-iodophenyl)-5-propyl-4-triazolecarboxylic acid IUPAC Name: 1-(2-iodophenyl)-5-propyltriazole-4-carboxylic acid Traditional Name: 1-(2-iodophenyl)-5-propyl-triazole-4-carboxylic acid Formula: C12H12IN3O2 MolecularWeight: 357.14705

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=NN1C2=CC=CC=C2I)C(=O)O

Isomeric SMILES

CCCC1=C(N=NN1C2=CC=CC=C2I)C(=O)O

InChI

InChI=1S/C12H12IN3O2/c1-2-5-10-11(12(17)18)14-15-16(10)9-7-4-3-6-8(9)13/h3-4,6-7H,2,5H2,1H3,(H,17,18)