bis[oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate; 1,3,5-triazine-2,4,6-triamine

Systemtic Name: bis[oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate; 1,3,5-triazine-2,4,6-triamine Openeye Name: bis[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate; 1,3,5-triazine-2,4,6-triamine CAS Name: bis[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate; 1,3,5-triazine-2,4,6-triamine IUPAC Name: bis[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate; 1,3,5-triazine-2,4,6-triamine Traditional Name: bis[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate; melamine Formula: C18H43N36O16P5 MolecularWeight: 1174.634425

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Descriptors Computed from Structure

Canonical SMILES:

C1(=NC(=NC(=N1)N)N)N.C1(=NC(=NC(=N1)N)N)N.C1(=NC(=NC(=N1)N)N)N.C1(=NC(=NC(=N1)N)N)N.C1(=NC(=NC(=N1)N)N)N.C1(=NC(=NC(=N1)N)N)N.OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1(=NC(=NC(=N1)N)N)N.C1(=NC(=NC(=N1)N)N)N.C1(=NC(=NC(=N1)N)N)N.C1(=NC(=NC(=N1)N)N)N.C1(=NC(=NC(=N1)N)N)N.C1(=NC(=NC(=N1)N)N)N.OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/6C3H6N6.H7O16P5/c6*4-1-7-2(5)9-3(6)8-1;1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h6*(H6,4,5,6,7,8,9);(H,7,8)(H,9,10)(H,11,12)(H2,1,2,3)(H2,4,5,6)