benzene-1,2,4-tricarboxylate; 1H-imidazol-1-ium

Systemtic Name: benzene-1,2,4-tricarboxylate; 1H-imidazol-1-ium Openeye Name: benzene-1,2,4-tricarboxylate; 1H-imidazol-1-ium CAS Name: benzene-1,2,4-tricarboxylate; 1H-imidazol-1-ium IUPAC Name: benzene-1,2,4-tricarboxylate; 1H-imidazol-1-ium Traditional Name: benzene-1,2,4-tricarboxylate; 1H-imidazol-1-ium Formula: C18H18N6O6 MolecularWeight: 414.37212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-].C1=CN=C[NH2+]1.C1=CN=C[NH2+]1.C1=CN=C[NH2+]1

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-].C1=CN=C[NH2+]1.C1=CN=C[NH2+]1.C1=CN=C[NH2+]1

InChI

InChI=1S/C9H6O6.3C3H4N2/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;3*1-2-5-3-4-1/h1-3H,(H,10,11)(H,12,13)(H,14,15);3*1-3H,(H,4,5)