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

Systemtic Name: 5-(1,2,3,4-tetrazol-1-yl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(tetrazol-1-yl)benzene-1,3-dicarboxylic acid CAS Name: 5-(1-tetrazolyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(tetrazol-1-yl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(tetrazol-1-yl)isophthalic acid Formula: C9H6N4O4 MolecularWeight: 234.16834

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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)