phosphonato phosphate; [2,4,6-tris(azanyl)-2H-1,3,5-triazin-1-yl]azanium

Systemtic Name: phosphonato phosphate; [2,4,6-tris(azanyl)-2H-1,3,5-triazin-1-yl]azanium Openeye Name: phosphonato phosphate; (2,4,6-triamino-2H-1,3,5-triazin-1-yl)ammonium CAS Name: phosphonato phosphate; (2,4,6-triamino-2H-1,3,5-triazin-1-yl)ammonium IUPAC Name: phosphonato phosphate; (2,4,6-triamino-2H-1,3,5-triazin-1-yl)azanium Traditional Name: phosphonato phosphate; (2,4,6-triamino-2H-s-triazin-1-yl)ammonium Formula: C12H40N28O7P2 MolecularWeight: 750.576922

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Descriptors Computed from Structure

Canonical SMILES:

C1(N=C(N=C(N1[NH3+])N)N)N.C1(N=C(N=C(N1[NH3+])N)N)N.C1(N=C(N=C(N1[NH3+])N)N)N.C1(N=C(N=C(N1[NH3+])N)N)N.[O-]P(=O)([O-])OP(=O)([O-])[O-]

Isomeric SMILES

C1(N=C(N=C(N1[NH3+])N)N)N.C1(N=C(N=C(N1[NH3+])N)N)N.C1(N=C(N=C(N1[NH3+])N)N)N.C1(N=C(N=C(N1[NH3+])N)N)N.[O-]P(=O)([O-])OP(=O)([O-])[O-]

InChI

InChI=1S/4C3H9N7.H4O7P2/c4*4-1-8-2(5)10(7)3(6)9-1;1-8(2,3)7-9(4,5)6/h4*2H,5,7H2,(H4,4,6,8,9);(H2,1,2,3)(H2,4,5,6)