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

Systemtic Name: 1-(4-iodophenyl)-5-propyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-iodophenyl)-5-propyl-triazole-4-carboxylic acid CAS Name: 1-(4-iodophenyl)-5-propyl-4-triazolecarboxylic acid IUPAC Name: 1-(4-iodophenyl)-5-propyltriazole-4-carboxylic acid Traditional Name: 1-(4-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=C(C=C2)I)C(=O)O

Isomeric SMILES

CCCC1=C(N=NN1C2=CC=C(C=C2)I)C(=O)O

InChI

InChI=1S/C12H12IN3O2/c1-2-3-10-11(12(17)18)14-15-16(10)9-6-4-8(13)5-7-9/h4-7H,2-3H2,1H3,(H,17,18)