2,2-bis[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]propanedioic acid

Systemtic Name: 2,2-bis[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]propanedioic acid Openeye Name: 2,2-bis[2-(2H-tetrazol-5-yl)ethyl]propanedioic acid CAS Name: 2,2-bis[2-(2H-tetrazol-5-yl)ethyl]propanedioic acid IUPAC Name: 2,2-bis[2-(2H-tetrazol-5-yl)ethyl]propanedioic acid Traditional Name: 2,2-bis[2-(2H-tetrazol-5-yl)ethyl]malonic acid Formula: C9H12N8O4 MolecularWeight: 296.24278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CC(CCC1=NNN=N1)(C(=O)O)C(=O)O)C2=NNN=N2

Isomeric SMILES

C(CC(CCC1=NNN=N1)(C(=O)O)C(=O)O)C2=NNN=N2

InChI

InChI=1S/C9H12N8O4/c18-7(19)9(8(20)21,3-1-5-10-14-15-11-5)4-2-6-12-16-17-13-6/h1-4H2,(H,18,19)(H,20,21)(H,10,11,14,15)(H,12,13,16,17)