1-iodanylbutyl 2H-1,2,3,4-tetrazole-5-carboxylate

Systemtic Name: 1-iodanylbutyl 2H-1,2,3,4-tetrazole-5-carboxylate Openeye Name: 1-iodobutyl 2H-tetrazole-5-carboxylate CAS Name: 2H-tetrazole-5-carboxylic acid 1-iodobutyl ester IUPAC Name: 1-iodobutyl 2H-tetrazole-5-carboxylate Traditional Name: 2H-tetrazole-5-carboxylic acid 1-iodobutyl ester Formula: C6H9IN4O2 MolecularWeight: 296.06573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(OC(=O)C1=NNN=N1)I

Isomeric SMILES

CCCC(OC(=O)C1=NNN=N1)I

InChI

InChI=1S/C6H9IN4O2/c1-2-3-4(7)13-6(12)5-8-10-11-9-5/h4H,2-3H2,1H3,(H,8,9,10,11)