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

Systemtic Name: benzene-1,2,4-tricarboxylate; 1-phenyl-1H-imidazol-1-ium Openeye Name: benzene-1,2,4-tricarboxylate; 1-phenyl-1H-imidazol-1-ium CAS Name: benzene-1,2,4-tricarboxylate; 1-phenyl-1H-imidazol-1-ium IUPAC Name: benzene-1,2,4-tricarboxylate; 1-phenyl-1H-imidazol-1-ium Traditional Name: benzene-1,2,4-tricarboxylate; 1-phenyl-1H-imidazol-1-ium Formula: C36H30N6O6 MolecularWeight: 642.66

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[NH+]2C=CN=C2.C1=CC=C(C=C1)[NH+]2C=CN=C2.C1=CC=C(C=C1)[NH+]2C=CN=C2.C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[NH+]2C=CN=C2.C1=CC=C(C=C1)[NH+]2C=CN=C2.C1=CC=C(C=C1)[NH+]2C=CN=C2.C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/3C9H8N2.C9H6O6/c3*1-2-4-9(5-3-1)11-7-6-10-8-11;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h3*1-8H;1-3H,(H,10,11)(H,12,13)(H,14,15)