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

Systemtic Name: benzene-1,2,4-tricarboxylate; 2-phenyl-1-(phenylmethyl)-1H-imidazol-1-ium Openeye Name: benzene-1,2,4-tricarboxylate; 1-benzyl-2-phenyl-1H-imidazol-1-ium CAS Name: benzene-1,2,4-tricarboxylate; 2-phenyl-1-(phenylmethyl)-1H-imidazol-1-ium IUPAC Name: benzene-1,2,4-tricarboxylate; 1-benzyl-2-phenyl-1H-imidazol-1-ium Traditional Name: benzene-1,2,4-tricarboxylate; 1-benzyl-2-phenyl-1H-imidazol-1-ium Formula: C57H48N6O6 MolecularWeight: 913.02762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+]2C=CN=C2C3=CC=CC=C3.C1=CC=C(C=C1)C[NH+]2C=CN=C2C3=CC=CC=C3.C1=CC=C(C=C1)C[NH+]2C=CN=C2C3=CC=CC=C3.C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH+]2C=CN=C2C3=CC=CC=C3.C1=CC=C(C=C1)C[NH+]2C=CN=C2C3=CC=CC=C3.C1=CC=C(C=C1)C[NH+]2C=CN=C2C3=CC=CC=C3.C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/3C16H14N2.C9H6O6/c3*1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h3*1-12H,13H2;1-3H,(H,10,11)(H,12,13)(H,14,15)