5-(1,2,3,4-tetrazol-1-yl)benzene-1,3-dicarboxylate

Systemtic Name: 5-(1,2,3,4-tetrazol-1-yl)benzene-1,3-dicarboxylate Openeye Name: 5-(tetrazol-1-yl)benzene-1,3-dicarboxylate CAS Name: 5-(1-tetrazolyl)benzene-1,3-dicarboxylate IUPAC Name: 5-(tetrazol-1-yl)benzene-1,3-dicarboxylate Traditional Name: 5-(tetrazol-1-yl)isophthalate Formula: C9H4N4O4-2 MolecularWeight: 232.15246

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)[O-])N2C=NN=N2)C(=O)[O-]

Isomeric SMILES

C1=C(C=C(C=C1C(=O)[O-])N2C=NN=N2)C(=O)[O-]

InChI

InChI=1S/C9H6N4O4/c14-8(15)5-1-6(9(16)17)3-7(2-5)13-4-10-11-12-13/h1-4H,(H,14,15)(H,16,17)/p-2