pentaazanium benzene-1,3-dicarboxylate

Systemtic Name: pentaazanium benzene-1,3-dicarboxylate Openeye Name: pentaammonium benzene-1,3-dicarboxylate CAS Name: pentaammonium benzene-1,3-dicarboxylate IUPAC Name: pentaazanium benzene-1,3-dicarboxylate Traditional Name: pentaammonium isophthalate Formula: C8H24N5O4+3 MolecularWeight: 254.30726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C8H6O4.5H3N/c9-7(10)5-2-1-3-6(4-5)8(11)12;;;;;/h1-4H,(H,9,10)(H,11,12);5*1H3/p+3