1H-imidazol-1-ium; phosphonato phosphate

Systemtic Name: 1H-imidazol-1-ium; phosphonato phosphate Openeye Name: 1H-imidazol-1-ium; phosphonato phosphate CAS Name: 1H-imidazol-1-ium; phosphonato phosphate IUPAC Name: 1H-imidazol-1-ium; phosphonato phosphate Traditional Name: 1H-imidazol-1-ium; phosphonato phosphate Formula: C12H20N8O7P2 MolecularWeight: 450.284122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C[NH2+]1.C1=CN=C[NH2+]1.C1=CN=C[NH2+]1.C1=CN=C[NH2+]1.[O-]P(=O)([O-])OP(=O)([O-])[O-]

Isomeric SMILES

C1=CN=C[NH2+]1.C1=CN=C[NH2+]1.C1=CN=C[NH2+]1.C1=CN=C[NH2+]1.[O-]P(=O)([O-])OP(=O)([O-])[O-]

InChI

InChI=1S/4C3H4N2.H4O7P2/c4*1-2-5-3-4-1;1-8(2,3)7-9(4,5)6/h4*1-3H,(H,4,5);(H2,1,2,3)(H2,4,5,6)