2-phenyl-1H-imidazol-3-ium; 1,3,5-triazine-2,4,6-triolate

Systemtic Name: 2-phenyl-1H-imidazol-3-ium; 1,3,5-triazine-2,4,6-triolate Openeye Name: 2-phenyl-1H-imidazol-3-ium; 1,3,5-triazine-2,4,6-triolate CAS Name: 2-phenyl-1H-imidazol-3-ium; 1,3,5-triazine-2,4,6-triolate IUPAC Name: 2-phenyl-1H-imidazol-3-ium; 1,3,5-triazine-2,4,6-triolate Traditional Name: 2-phenyl-1H-imidazol-3-ium; s-triazine-2,4,6-triolate Formula: C30H27N9O3 MolecularWeight: 561.59388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[NH+]C=CN2.C1=CC=C(C=C1)C2=[NH+]C=CN2.C1=CC=C(C=C1)C2=[NH+]C=CN2.C1(=NC(=NC(=N1)[O-])[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=[NH+]C=CN2.C1=CC=C(C=C1)C2=[NH+]C=CN2.C1=CC=C(C=C1)C2=[NH+]C=CN2.C1(=NC(=NC(=N1)[O-])[O-])[O-]

InChI

InChI=1S/3C9H8N2.C3H3N3O3/c3*1-2-4-8(5-3-1)9-10-6-7-11-9;7-1-4-2(8)6-3(9)5-1/h3*1-7H,(H,10,11);(H3,4,5,6,7,8,9)